1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one

C10H16F2O2 — CID 130457146

IUPAC1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one
SMILESCCC(=O)C1(C)CC(F)(F)CCC1O
InChIInChI=1S/C10H16F2O2/c1-3-7(13)9(2)6-10(11,12)5-4-8(9)14/h8,14H,3-6H2,1-2H3
InChIKeyNOFDCVRZCYDSAD-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.15
Rot. Bonds2

About 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one

1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one (PubChem CID 130457146) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one
PubChem CID130457146
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one
SMILESCCC(=O)C1(C)CC(F)(F)CCC1O
InChIInChI=1S/C10H16F2O2/c1-3-7(13)9(2)6-10(11,12)5-4-8(9)14/h8,14H,3-6H2,1-2H3
InChIKeyNOFDCVRZCYDSAD-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one?
The IUPAC name of 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one (CID 130457146) is 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one.
What is the SMILES notation for 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one?
The canonical SMILES for 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one is CCC(=O)C1(C)CC(F)(F)CCC1O.
What is the InChIKey of 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one?
The InChIKey is NOFDCVRZCYDSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-3-7(13)9(2)6-10(11,12)5-4-8(9)14/h8,14H,3-6H2,1-2H3.
What are the key properties of 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one?
1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one has a molecular weight of 206.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluoro-2-hydroxy-1-methylcyclohexyl)propan-1-one is sourced from PubChem (CID 130457146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).