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

C7H10F2O2 — CID 84764732

IUPAC1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid
SMILESCC(F)(F)C1(C(=O)O)CCC1
InChIInChI=1S/C7H10F2O2/c1-6(8,9)7(5(10)11)3-2-4-7/h2-4H2,1H3,(H,10,11)
InChIKeyRQWBQSWJFTZBJD-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.90
Rot. Bonds2

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

1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid (PubChem CID 84764732) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid
PubChem CID84764732
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid
SMILESCC(F)(F)C1(C(=O)O)CCC1
InChIInChI=1S/C7H10F2O2/c1-6(8,9)7(5(10)11)3-2-4-7/h2-4H2,1H3,(H,10,11)
InChIKeyRQWBQSWJFTZBJD-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid (CID 84764732) is 1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid is CC(F)(F)C1(C(=O)O)CCC1.
What is the InChIKey of 1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid?
The InChIKey is RQWBQSWJFTZBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-6(8,9)7(5(10)11)3-2-4-7/h2-4H2,1H3,(H,10,11).
What are the key properties of 1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid?
1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid has a molecular weight of 164.15 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 84764732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).