2-(2-fluorophenyl)cyclopentene-1-carboxylic acid

C12H11FO2 — CID 130861385

IUPAC2-(2-fluorophenyl)cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2F)CCC1
InChIInChI=1S/C12H11FO2/c13-11-7-2-1-4-9(11)8-5-3-6-10(8)12(14)15/h1-2,4,7H,3,5-6H2,(H,14,15)
InChIKeyNTUBFFCZQDCRIJ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.85
Rot. Bonds2

About 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid

2-(2-fluorophenyl)cyclopentene-1-carboxylic acid (PubChem CID 130861385) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)cyclopentene-1-carboxylic acid
PubChem CID130861385
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name2-(2-fluorophenyl)cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(c2ccccc2F)CCC1
InChIInChI=1S/C12H11FO2/c13-11-7-2-1-4-9(11)8-5-3-6-10(8)12(14)15/h1-2,4,7H,3,5-6H2,(H,14,15)
InChIKeyNTUBFFCZQDCRIJ-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid (CID 130861385) is 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid is O=C(O)C1=C(c2ccccc2F)CCC1.
What is the InChIKey of 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid?
The InChIKey is NTUBFFCZQDCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c13-11-7-2-1-4-9(11)8-5-3-6-10(8)12(14)15/h1-2,4,7H,3,5-6H2,(H,14,15).
What are the key properties of 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid?
2-(2-fluorophenyl)cyclopentene-1-carboxylic acid has a molecular weight of 206.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)cyclopentene-1-carboxylic acid is sourced from PubChem (CID 130861385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).