2,2,2-trifluoro-N-(3-fluorophenyl)acetamide

2,2,2-trifluoro-N-(3-fluorophenyl)acetamide

CAS: 35980-21-3

Formula: C8H5F4NO

SMILES: FC1=CC=CC(NC(=O)C(F)(F)F)=C1

IUPAC: 2,2,2-trifluoro-N-(3-fluorophenyl)acetamide

InChI: InChI=1S/C8H5F4NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)

Composition: C (46.39%), H (2.43%), F (36.69%), N (6.76%), O (7.72%)

Molar Mass: 207.128

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.030726437
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	WWKUHNUESPCMSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.15
Topological Polar Surface Area	29.1
Polarizability	14.58
Ring Count	1
Rotatable Bond Count	2

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