bis[3,5-bis(trifluoromethyl)phenyl]methanone

bis[3,5-bis(trifluoromethyl)phenyl]methanone

CAS: 175136-66-0

Formula: C17H6F12O

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

IUPAC: bis[3,5-bis(trifluoromethyl)phenyl]methanone

InChI: InChI=1S/C17H6F12O/c18-14(19,20)9-1-7(2-10(5-9)15(21,22)23)13(30)8-3-11(16(24,25)26)6-12(4-8)17(27,28)29/h1-6H

Composition: C (44.95%), H (1.33%), F (50.19%), O (3.52%)

Molar Mass: 454.215

Atom Count: 36

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	454.022702769
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GATWMPGNBWPCIY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	80.53
Topological Polar Surface Area	17.07
Polarizability	27.84
Ring Count	2
Rotatable Bond Count	6

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