1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one

1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one

CAS: 237761-78-3

Formula: C10H8F4O

SMILES: CCC(=O)C1=CC=C(C(F)=C1)C(F)(F)F

IUPAC: 1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one

InChI: InChI=1S/C10H8F4O/c1-2-9(15)6-3-4-7(8(11)5-6)10(12,13)14/h3-5H,2H2,1H3

Composition: C (54.55%), H (3.66%), F (34.52%), O (7.27%)

Molar Mass: 220.167

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.05112753
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	FUSVMXQCFHNSHP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.28
Topological Polar Surface Area	17.07
Polarizability	16.92
Ring Count	1
Rotatable Bond Count	3

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