[4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate

C10H16F2O3 — CID 58225905

IUPAC[4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate
SMILESO=C(OCC1CCC(CO)CC1)C(F)F
InChIInChI=1S/C10H16F2O3/c11-9(12)10(14)15-6-8-3-1-7(5-13)2-4-8/h7-9,13H,1-6H2
InChIKeyCLQZFMVJXSENEW-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.59
Rot. Bonds4

About [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate

[4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate (PubChem CID 58225905) has the molecular formula C10H16F2O3 and a molecular weight of 222.23 g/mol. Its IUPAC name is [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate.

Molecular Properties

Compound Name[4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate
PubChem CID58225905
Molecular FormulaC10H16F2O3
Molecular Weight222.23 g/mol
Exact Mass222.11
IUPAC Name[4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate
SMILESO=C(OCC1CCC(CO)CC1)C(F)F
InChIInChI=1S/C10H16F2O3/c11-9(12)10(14)15-6-8-3-1-7(5-13)2-4-8/h7-9,13H,1-6H2
InChIKeyCLQZFMVJXSENEW-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate?
The IUPAC name of [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate (CID 58225905) is [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate.
What is the SMILES notation for [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate?
The canonical SMILES for [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate is O=C(OCC1CCC(CO)CC1)C(F)F.
What is the InChIKey of [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate?
The InChIKey is CLQZFMVJXSENEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O3/c11-9(12)10(14)15-6-8-3-1-7(5-13)2-4-8/h7-9,13H,1-6H2.
What are the key properties of [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate?
[4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate has a molecular weight of 222.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)cyclohexyl]methyl 2,2-difluoroacetate is sourced from PubChem (CID 58225905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).