1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one

C15H24F2O2 — CID 114224662

IUPAC1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one
SMILESO=C(CC1CCCC(F)(F)C1)C(O)C1CCCCC1
InChIInChI=1S/C15H24F2O2/c16-15(17)8-4-5-11(10-15)9-13(18)14(19)12-6-2-1-3-7-12/h11-12,14,19H,1-10H2
InChIKeyNCHCRWLEIIXQBN-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.71
Rot. Bonds4

About 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one

1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one (PubChem CID 114224662) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one
PubChem CID114224662
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one
SMILESO=C(CC1CCCC(F)(F)C1)C(O)C1CCCCC1
InChIInChI=1S/C15H24F2O2/c16-15(17)8-4-5-11(10-15)9-13(18)14(19)12-6-2-1-3-7-12/h11-12,14,19H,1-10H2
InChIKeyNCHCRWLEIIXQBN-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(3,3-difluorocyclohexyl)ethanol
CID 114215735
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
CID 114224600
1,4-dicyclohexyl-1-hydroxybutan-2-one
CID 114191974
(2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid
CID 155956904
methyl 3-[(3,3-difluorocyclohexyl)methylsulfinyl]butanoate
CID 114224985
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one
CID 103457527
2-amino-4-(3,3-difluorocyclohexyl)butanoic acid
CID 164530886
1-cyclohexyl-1-hydroxy-4-methylheptan-2-one
CID 103457590
1-(2,5-dibromothiophen-3-yl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114225680

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one?
The IUPAC name of 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one (CID 114224662) is 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one is O=C(CC1CCCC(F)(F)C1)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one?
The InChIKey is NCHCRWLEIIXQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2/c16-15(17)8-4-5-11(10-15)9-13(18)14(19)12-6-2-1-3-7-12/h11-12,14,19H,1-10H2.
What are the key properties of 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one?
1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one has a molecular weight of 274.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one is sourced from PubChem (CID 114224662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).