2-fluoro-5-(trifluoromethyl)benzoyl chloride

2-fluoro-5-(trifluoromethyl)benzoyl chloride

CAS: 207981-46-2

Formula: C8H3ClF4O

SMILES: FC1=CC=C(C=C1C(Cl)=O)C(F)(F)F

IUPAC: 2-fluoro-5-(trifluoromethyl)benzoyl chloride

InChI: InChI=1S/C8H3ClF4O/c9-7(14)5-3-4(8(11,12)13)1-2-6(5)10/h1-3H

Composition: C (42.41%), H (1.33%), Cl (15.65%), F (33.54%), O (7.06%)

Molar Mass: 226.55

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.9808551
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OFVKAIZITGCCDN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.36
Topological Polar Surface Area	17.07
Polarizability	15.39
Ring Count	1
Rotatable Bond Count	2

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