1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one

C14H24F2O2 — CID 13053159

IUPAC1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one
SMILESCCCCCCC(=O)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C14H24F2O2/c1-2-3-4-6-9-12(17)14(15,16)13(18)10-7-5-8-11-13/h18H,2-11H2,1H3
InChIKeyDWKGDFOVLVTQTB-UHFFFAOYSA-N
MW262.34 g/mol
LogP3.86
Rot. Bonds7

About 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one

1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one (PubChem CID 13053159) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one.

Molecular Properties

Compound Name1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one
PubChem CID13053159
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one
SMILESCCCCCCC(=O)C(F)(F)C1(O)CCCCC1
InChIInChI=1S/C14H24F2O2/c1-2-3-4-6-9-12(17)14(15,16)13(18)10-7-5-8-11-13/h18H,2-11H2,1H3
InChIKeyDWKGDFOVLVTQTB-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
1-(4,4-Difluoro-1-hydroxycyclohexyl)ethan-1-one
CID 89694410
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
7-(Difluoromethyl)-6,6-difluoro-7-hydroxyundecan-5-one
CID 11032982
1-Cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-1-one
CID 11118106
3-Ethyl-4,4-difluoro-3-hydroxyundecan-5-one
CID 13172565

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one?
The IUPAC name of 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one (CID 13053159) is 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one.
What is the SMILES notation for 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one?
The canonical SMILES for 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one is CCCCCCC(=O)C(F)(F)C1(O)CCCCC1.
What is the InChIKey of 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one?
The InChIKey is DWKGDFOVLVTQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2O2/c1-2-3-4-6-9-12(17)14(15,16)13(18)10-7-5-8-11-13/h18H,2-11H2,1H3.
What are the key properties of 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one?
1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one has a molecular weight of 262.34 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(1-hydroxycyclohexyl)octan-2-one is sourced from PubChem (CID 13053159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).