C1=CC(=C(C=C1F)C(F)(F)F)C#N
CAS: 194853-86-6
الاسم: 4-fluoro-2-(trifluoromethyl)benzonitrile
SMILES: C1=CC(=C(C=C1F)C(F)(F)F)C#N

Molecular Processing

Molecular formula
C8H3F4N
Molecular weight
189.11
Exact mass
189.0202
XLogP
2.72
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
36.12

Supplementary Information

InChIKey: LCCPQUYXMFXCAC-UHFFFAOYSA-N
مرادفات
4-Fluoro-2-(trifluoromethyl)benzonitrile194853-86-6LCCPQUYXMFXCAC-UHFFFAOYSA-DTXSID80345507RefChem:98950DTXCID80296580642-459-5InChI=1/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3HLCCPQUYXMFXCAC-UHFFFAOYSA-N4-fluoro-2-trifluoromethylbenzonitrile2-trifluoromethyl-4-fluorobenzonitrileMFCD000612834-Fluoro-2-(trifluoromethyl);benzonitrile4-Fluoro-2-(trifluoromethl)benzonitrile4-fluoro-2-(trifluoromethyl)benzenecarbonitrile2-Cyano-5-fluorobenzotrifluoride4-Fluoro-2-trifluoromethyl-benzonitrile4-Fluoro-2-(trifluoromethyl)-BenzonitrileBenzonitrile, 4-fluoro-2-(trifluoromethyl)-2-(trifluoromethyl)-4-fluorobenzonitrileSCHEMBL221383SBB062986TD1084AKOS005064075AC-2435CS-W002289FF64158PS-84192-trifluoromethyl-4-fluoro-benzonitrile4-fluoro-2-trifluoromethyl benzonitrile
عرض المصدر →
مشارك في 84 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→