C1=CC(=CC=C1CCBr)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
الاسم: N-[4-(2-bromoethyl)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILES: C1=CC(=CC=C1CCBr)NC(=O)C(C(C(F)(F)F)(F)F)(F)F

Molecular Processing

Molecular formula
C12H9BrF7NO
Molecular weight
396.1
Exact mass
394.9756
XLogP
4.4
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
68.52

Supplementary Information

InChIKey: WLVBZZHGVRVSSW-UHFFFAOYSA-N
مرادفات
2,2,3,3,4,4,4-heptafluoro-N-[4-(2-bromoethyl)phenyl]butanamideSCHEMBL10649739
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