4-hydroxy-4-(trifluoromethyl)cyclohexan-1-one

4-hydroxy-4-(trifluoromethyl)cyclohexan-1-one

CAS: 120929-90-0

Formula: C7H9F3O2

SMILES: OC1(CCC(=O)CC1)C(F)(F)F

IUPAC: 4-hydroxy-4-(trifluoromethyl)cyclohexan-1-one

InChI: InChI=1S/C7H9F3O2/c8-7(9,10)6(12)3-1-5(11)2-4-6/h12H,1-4H2

Composition: C (46.16%), H (4.98%), F (31.29%), O (17.57%)

Molar Mass: 182.142

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	182.055464019
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WQEVHVUXWMPHQO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.26
Topological Polar Surface Area	37.3
Polarizability	13.23
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	120929-90-0		$504.40-$1,558.60$504.40$1,558.60