2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid

C7H8F2O2 — CID 57231712

IUPAC2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1C=CCC1
InChIInChI=1S/C7H8F2O2/c8-7(9,6(10)11)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,10,11)
InChIKeyHFQQACNPNVHYDX-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.67
Rot. Bonds2

About 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid

2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid (PubChem CID 57231712) has the molecular formula C7H8F2O2 and a molecular weight of 162.14 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid
PubChem CID57231712
Molecular FormulaC7H8F2O2
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1C=CCC1
InChIInChI=1S/C7H8F2O2/c8-7(9,6(10)11)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,10,11)
InChIKeyHFQQACNPNVHYDX-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid?
The IUPAC name of 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid (CID 57231712) is 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid?
The canonical SMILES for 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid is O=C(O)C(F)(F)C1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid?
The InChIKey is HFQQACNPNVHYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2/c8-7(9,6(10)11)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,10,11).
What are the key properties of 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid?
2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid has a molecular weight of 162.14 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-2,2-difluoroacetic acid is sourced from PubChem (CID 57231712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).