C1=CC(=C(C=C1C#N)C(F)(F)F)F
CAS: 67515-59-7
Name: 4-fluoro-3-(trifluoromethyl)benzonitrile
SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)F

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: CQZQCORFYSSCFY-UHFFFAOYSA-N
Synonyme
4-Fluoro-3-(trifluoromethyl)benzonitrile67515-59-7DTXSID60217859RefChem:98971DTXCID60140350642-616-8CQZQCORFYSSCFY-UHFFFAOYSA-N4-fluoro-3-trifluoromethylbenzonitrile5-cyano-2-fluorobenzotrifluorideMFCD00061284773669-57-14-fluoro-3-(trifluoromethyl)benzenecarbonitrile4-Fluoro-3-trifluoromethyl-benzonitrileBenzonitrile, 4-fluoro-3-(trifluoromethyl)-4-fluoro-3-(trifluoromethyl)-benzonitrileSCHEMBL185191SCHEMBL29421437CK2148SBB0636583-Trifluoromethyl-4-fluorobenzonitrileAKOS005254945AB02413AC-4095CS-W015971FF64159PS-84163-trifluoromethyl 4-fluoro-benzonitrile4-fluoro-3-tri-fluoromethylbenzonitrileSY006745DB-024242
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