2,2-difluoro-3-(furan-3-yl)propanoic acid

C7H6F2O3 — CID 165461920

IUPAC2,2-difluoro-3-(furan-3-yl)propanoic acid
SMILESO=C(O)C(F)(F)Cc1ccoc1
InChIInChI=1S/C7H6F2O3/c8-7(9,6(10)11)3-5-1-2-12-4-5/h1-2,4H,3H2,(H,10,11)
InChIKeyQYKVROIRJWNSCM-UHFFFAOYSA-N
MW176.12 g/mol
LogP1.54
Rot. Bonds3

About 2,2-difluoro-3-(furan-3-yl)propanoic acid

2,2-difluoro-3-(furan-3-yl)propanoic acid (PubChem CID 165461920) has the molecular formula C7H6F2O3 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2,2-difluoro-3-(furan-3-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(furan-3-yl)propanoic acid
PubChem CID165461920
Molecular FormulaC7H6F2O3
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name2,2-difluoro-3-(furan-3-yl)propanoic acid
SMILESO=C(O)C(F)(F)Cc1ccoc1
InChIInChI=1S/C7H6F2O3/c8-7(9,6(10)11)3-5-1-2-12-4-5/h1-2,4H,3H2,(H,10,11)
InChIKeyQYKVROIRJWNSCM-UHFFFAOYSA-N
XLogP1.54
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(furan-3-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(furan-3-yl)propanoic acid (CID 165461920) is 2,2-difluoro-3-(furan-3-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(furan-3-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(furan-3-yl)propanoic acid is O=C(O)C(F)(F)Cc1ccoc1.
What is the InChIKey of 2,2-difluoro-3-(furan-3-yl)propanoic acid?
The InChIKey is QYKVROIRJWNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O3/c8-7(9,6(10)11)3-5-1-2-12-4-5/h1-2,4H,3H2,(H,10,11).
What are the key properties of 2,2-difluoro-3-(furan-3-yl)propanoic acid?
2,2-difluoro-3-(furan-3-yl)propanoic acid has a molecular weight of 176.12 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(furan-3-yl)propanoic acid is sourced from PubChem (CID 165461920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).