3-(3,3-difluorocyclobutyl)propanoic acid

C7H10F2O2 — CID 90079824

IUPAC3-(3,3-difluorocyclobutyl)propanoic acid
SMILESO=C(O)CCC1CC(F)(F)C1
InChIInChI=1S/C7H10F2O2/c8-7(9)3-5(4-7)1-2-6(10)11/h5H,1-4H2,(H,10,11)
InChIKeyCYFCVCHDGLSVMB-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.90
Rot. Bonds3

About 3-(3,3-difluorocyclobutyl)propanoic acid

3-(3,3-difluorocyclobutyl)propanoic acid (PubChem CID 90079824) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)propanoic acid.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)propanoic acid
PubChem CID90079824
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name3-(3,3-difluorocyclobutyl)propanoic acid
SMILESO=C(O)CCC1CC(F)(F)C1
InChIInChI=1S/C7H10F2O2/c8-7(9)3-5(4-7)1-2-6(10)11/h5H,1-4H2,(H,10,11)
InChIKeyCYFCVCHDGLSVMB-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)propanoic acid?
The IUPAC name of 3-(3,3-difluorocyclobutyl)propanoic acid (CID 90079824) is 3-(3,3-difluorocyclobutyl)propanoic acid.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)propanoic acid?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)propanoic acid is O=C(O)CCC1CC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)propanoic acid?
The InChIKey is CYFCVCHDGLSVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-7(9)3-5(4-7)1-2-6(10)11/h5H,1-4H2,(H,10,11).
What are the key properties of 3-(3,3-difluorocyclobutyl)propanoic acid?
3-(3,3-difluorocyclobutyl)propanoic acid has a molecular weight of 164.15 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)propanoic acid is sourced from PubChem (CID 90079824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).