3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid

C11H16F2O3 — CID 84796788

IUPAC3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid
SMILESO=C(O)C1(CC2CCC2)COCCC1(F)F
InChIInChI=1S/C11H16F2O3/c12-11(13)4-5-16-7-10(11,9(14)15)6-8-2-1-3-8/h8H,1-7H2,(H,14,15)
InChIKeyBPOFUYRECLSHIH-UHFFFAOYSA-N
MW234.24 g/mol
LogP2.30
Rot. Bonds3

About 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid

3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid (PubChem CID 84796788) has the molecular formula C11H16F2O3 and a molecular weight of 234.24 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid
PubChem CID84796788
Molecular FormulaC11H16F2O3
Molecular Weight234.24 g/mol
Exact Mass234.11
IUPAC Name3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid
SMILESO=C(O)C1(CC2CCC2)COCCC1(F)F
InChIInChI=1S/C11H16F2O3/c12-11(13)4-5-16-7-10(11,9(14)15)6-8-2-1-3-8/h8H,1-7H2,(H,14,15)
InChIKeyBPOFUYRECLSHIH-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid 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 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid?
The IUPAC name of 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid (CID 84796788) is 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid?
The canonical SMILES for 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid is O=C(O)C1(CC2CCC2)COCCC1(F)F.
What is the InChIKey of 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid?
The InChIKey is BPOFUYRECLSHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O3/c12-11(13)4-5-16-7-10(11,9(14)15)6-8-2-1-3-8/h8H,1-7H2,(H,14,15).
What are the key properties of 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid?
3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid has a molecular weight of 234.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-4,4-difluorooxane-3-carboxylic acid is sourced from PubChem (CID 84796788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).