methyl 3,3-difluorocyclopentane-1-carboxylate

C7H10F2O2 — CID 71742948

IUPACmethyl 3,3-difluorocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C7H10F2O2/c1-11-6(10)5-2-3-7(8,9)4-5/h5H,2-4H2,1H3
InChIKeyADUIVPFOAZXVOE-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.59
Rot. Bonds1

About methyl 3,3-difluorocyclopentane-1-carboxylate

methyl 3,3-difluorocyclopentane-1-carboxylate (PubChem CID 71742948) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is methyl 3,3-difluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-difluorocyclopentane-1-carboxylate
PubChem CID71742948
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Namemethyl 3,3-difluorocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C7H10F2O2/c1-11-6(10)5-2-3-7(8,9)4-5/h5H,2-4H2,1H3
InChIKeyADUIVPFOAZXVOE-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 3,3-difluorocyclopentane-1-carboxylate 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 methyl 3,3-difluorocyclopentane-1-carboxylate?
The IUPAC name of methyl 3,3-difluorocyclopentane-1-carboxylate (CID 71742948) is methyl 3,3-difluorocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3,3-difluorocyclopentane-1-carboxylate?
The canonical SMILES for methyl 3,3-difluorocyclopentane-1-carboxylate is COC(=O)C1CCC(F)(F)C1.
What is the InChIKey of methyl 3,3-difluorocyclopentane-1-carboxylate?
The InChIKey is ADUIVPFOAZXVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-11-6(10)5-2-3-7(8,9)4-5/h5H,2-4H2,1H3.
What are the key properties of methyl 3,3-difluorocyclopentane-1-carboxylate?
methyl 3,3-difluorocyclopentane-1-carboxylate has a molecular weight of 164.15 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-difluorocyclopentane-1-carboxylate is sourced from PubChem (CID 71742948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).