2-cyclopentylidene-2-fluoroacetic acid

C7H9FO2 — CID 55302746

IUPAC2-cyclopentylidene-2-fluoroacetic acid
SMILESO=C(O)C(F)=C1CCCC1
InChIInChI=1S/C7H9FO2/c8-6(7(9)10)5-3-1-2-4-5/h1-4H2,(H,9,10)
InChIKeyFEJYQWCCMCHIRO-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.87
Rot. Bonds1

About 2-cyclopentylidene-2-fluoroacetic acid

2-cyclopentylidene-2-fluoroacetic acid (PubChem CID 55302746) has the molecular formula C7H9FO2 and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-cyclopentylidene-2-fluoroacetic acid.

Molecular Properties

Compound Name2-cyclopentylidene-2-fluoroacetic acid
PubChem CID55302746
Molecular FormulaC7H9FO2
Molecular Weight144.15 g/mol
Exact Mass144.06
IUPAC Name2-cyclopentylidene-2-fluoroacetic acid
SMILESO=C(O)C(F)=C1CCCC1
InChIInChI=1S/C7H9FO2/c8-6(7(9)10)5-3-1-2-4-5/h1-4H2,(H,9,10)
InChIKeyFEJYQWCCMCHIRO-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-2-fluoroacetic acid?
The IUPAC name of 2-cyclopentylidene-2-fluoroacetic acid (CID 55302746) is 2-cyclopentylidene-2-fluoroacetic acid.
What is the SMILES notation for 2-cyclopentylidene-2-fluoroacetic acid?
The canonical SMILES for 2-cyclopentylidene-2-fluoroacetic acid is O=C(O)C(F)=C1CCCC1.
What is the InChIKey of 2-cyclopentylidene-2-fluoroacetic acid?
The InChIKey is FEJYQWCCMCHIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c8-6(7(9)10)5-3-1-2-4-5/h1-4H2,(H,9,10).
What are the key properties of 2-cyclopentylidene-2-fluoroacetic acid?
2-cyclopentylidene-2-fluoroacetic acid has a molecular weight of 144.15 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-2-fluoroacetic acid is sourced from PubChem (CID 55302746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).