3-fluorocyclopentene-1-carboxylic acid

C6H7FO2 — CID 105427491

IUPAC3-fluorocyclopentene-1-carboxylic acid
SMILESO=C(O)C1=CC(F)CC1
InChIInChI=1S/C6H7FO2/c7-5-2-1-4(3-5)6(8)9/h3,5H,1-2H2,(H,8,9)
InChIKeyGGHXIRXICBLMSK-UHFFFAOYSA-N
MW130.12 g/mol
LogP1.13
Rot. Bonds1

About 3-fluorocyclopentene-1-carboxylic acid

3-fluorocyclopentene-1-carboxylic acid (PubChem CID 105427491) has the molecular formula C6H7FO2 and a molecular weight of 130.12 g/mol. Its IUPAC name is 3-fluorocyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name3-fluorocyclopentene-1-carboxylic acid
PubChem CID105427491
Molecular FormulaC6H7FO2
Molecular Weight130.12 g/mol
Exact Mass130.04
IUPAC Name3-fluorocyclopentene-1-carboxylic acid
SMILESO=C(O)C1=CC(F)CC1
InChIInChI=1S/C6H7FO2/c7-5-2-1-4(3-5)6(8)9/h3,5H,1-2H2,(H,8,9)
InChIKeyGGHXIRXICBLMSK-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorocyclopentene-1-carboxylic acid?
The IUPAC name of 3-fluorocyclopentene-1-carboxylic acid (CID 105427491) is 3-fluorocyclopentene-1-carboxylic acid.
What is the SMILES notation for 3-fluorocyclopentene-1-carboxylic acid?
The canonical SMILES for 3-fluorocyclopentene-1-carboxylic acid is O=C(O)C1=CC(F)CC1.
What is the InChIKey of 3-fluorocyclopentene-1-carboxylic acid?
The InChIKey is GGHXIRXICBLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO2/c7-5-2-1-4(3-5)6(8)9/h3,5H,1-2H2,(H,8,9).
What are the key properties of 3-fluorocyclopentene-1-carboxylic acid?
3-fluorocyclopentene-1-carboxylic acid has a molecular weight of 130.12 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclopentene-1-carboxylic acid is sourced from PubChem (CID 105427491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).