3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid

C7H10F2O2 — CID 118077531

IUPAC3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(CC(F)F)C1
InChIInChI=1S/C7H10F2O2/c8-6(9)3-4-1-5(2-4)7(10)11/h4-6H,1-3H2,(H,10,11)
InChIKeyXLEQZRBMPGKGJV-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.75
Rot. Bonds3

About 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid

3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid (PubChem CID 118077531) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid
PubChem CID118077531
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(CC(F)F)C1
InChIInChI=1S/C7H10F2O2/c8-6(9)3-4-1-5(2-4)7(10)11/h4-6H,1-3H2,(H,10,11)
InChIKeyXLEQZRBMPGKGJV-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid (CID 118077531) is 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid is O=C(O)C1CC(CC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid?
The InChIKey is XLEQZRBMPGKGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-6(9)3-4-1-5(2-4)7(10)11/h4-6H,1-3H2,(H,10,11).
What are the key properties of 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid?
3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid has a molecular weight of 164.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 118077531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).