(3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one

C10H15F3O2 — CID 166085249

IUPAC(3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one
SMILESCC(=O)[C@](O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-7(14)9(15,10(11,12)13)8-5-3-2-4-6-8/h8,15H,2-6H2,1H3/t9-/m0/s1
InChIKeyBJIYBGVXWMWDJT-VIFPVBQESA-N
MW224.22 g/mol
LogP2.45
Rot. Bonds2

About (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one

(3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one (PubChem CID 166085249) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one.

Molecular Properties

Compound Name(3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one
PubChem CID166085249
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name(3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one
SMILESCC(=O)[C@](O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-7(14)9(15,10(11,12)13)8-5-3-2-4-6-8/h8,15H,2-6H2,1H3/t9-/m0/s1
InChIKeyBJIYBGVXWMWDJT-VIFPVBQESA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-Difluoro-1-hydroxycyclohexyl)ethan-1-one
CID 89694410
3-(4,4-Difluorocyclohexyl)-2-oxopropanoic acid
CID 165861060
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
CID 13026293
1-Cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
CID 11118106
1,1-Difluoro-1-(1-hydroxycyclohexyl)octan-2-one
CID 13053159
2-Cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoic acid
CID 12060170
4-[2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohexanone
CID 13876332
4-(2-Hydroxy-1,1,1-trifluoro-2-propyl)cyclohexanone
CID 14412981
1-Cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
CID 58810825
Methyl 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexanone
CID 86618069
1,1,1-Trifluoro-2-hydroxy-2-methyldodecan-3-one
CID 88425378
1,1,1-Trifluoro-2-hydroxy-2-methyltridecan-3-one
CID 88425386

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one?
The IUPAC name of (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one (CID 166085249) is (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one.
What is the SMILES notation for (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one?
The canonical SMILES for (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one is CC(=O)[C@](O)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one?
The InChIKey is BJIYBGVXWMWDJT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15F3O2/c1-7(14)9(15,10(11,12)13)8-5-3-2-4-6-8/h8,15H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one?
(3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one has a molecular weight of 224.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclohexyl-4,4,4-trifluoro-3-hydroxybutan-2-one is sourced from PubChem (CID 166085249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).