1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one

C11H17F3O2 — CID 11118106

IUPAC1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
SMILESCC(O)(CC(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-10(16,11(12,13)14)7-9(15)8-5-3-2-4-6-8/h8,16H,2-7H2,1H3
InChIKeyCFQLFTYOIYXAER-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.84
Rot. Bonds3

About 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one

1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one (PubChem CID 11118106) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
PubChem CID11118106
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
SMILESCC(O)(CC(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-10(16,11(12,13)14)7-9(15)8-5-3-2-4-6-8/h8,16H,2-7H2,1H3
InChIKeyCFQLFTYOIYXAER-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanone, 1-(1-hydroxycyclohexyl)-
CID 91383
2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-
CID 59062
8-Hydroxy-p-menthan-3-one
CID 3014189
trans-(2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
CID 21630930
8-Hydroxymenthone
CID 13614904
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
CID 13026293
1-Cyclohexyl-4-fluoro-1-hydroxypentan-3-one
CID 134835601
8-Hydroxy-8-methyldodecan-6-one
CID 91090728
1-(1-Hydroxycyclohexyl)butan-2-one
CID 130027289
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 293403
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-one
CID 294289
1-Cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-1-one
CID 10966144

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one (CID 11118106) is 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one is CC(O)(CC(=O)C1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one?
The InChIKey is CFQLFTYOIYXAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-10(16,11(12,13)14)7-9(15)8-5-3-2-4-6-8/h8,16H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one?
1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one has a molecular weight of 238.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 11118106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).