4-cyclohexyl-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

4-cyclohexyl-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

CAS: 67015-16-1

Formula: C10H13F3O2

SMILES: OC(=CC(=O)C(F)(F)F)C1CCCCC1

IUPAC: 4-cyclohexyl-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

InChI: InChI=1S/C10H13F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h6-7,14H,1-5H2

Composition: C (54.05%), H (5.90%), F (25.65%), O (14.40%)

Molar Mass: 222.207

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	222.086764148
Formal Charge	0
FSP3	0.7
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BRWPLQKEFSAWEY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.65
Topological Polar Surface Area	37.3
Polarizability	18.31
Ring Count	1
Rotatable Bond Count	3

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