2-[2-(2-fluorophenyl)cycloheptyl]acetic acid

C15H19FO2 — CID 82244846

IUPAC2-[2-(2-fluorophenyl)cycloheptyl]acetic acid
SMILESO=C(O)CC1CCCCCC1c1ccccc1F
InChIInChI=1S/C15H19FO2/c16-14-9-5-4-8-13(14)12-7-3-1-2-6-11(12)10-15(17)18/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,17,18)
InChIKeyCYTCWIPTENAMBV-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.96
Rot. Bonds3

About 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid

2-[2-(2-fluorophenyl)cycloheptyl]acetic acid (PubChem CID 82244846) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)cycloheptyl]acetic acid
PubChem CID82244846
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-[2-(2-fluorophenyl)cycloheptyl]acetic acid
SMILESO=C(O)CC1CCCCCC1c1ccccc1F
InChIInChI=1S/C15H19FO2/c16-14-9-5-4-8-13(14)12-7-3-1-2-6-11(12)10-15(17)18/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,17,18)
InChIKeyCYTCWIPTENAMBV-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid (CID 82244846) is 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid is O=C(O)CC1CCCCCC1c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid?
The InChIKey is CYTCWIPTENAMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c16-14-9-5-4-8-13(14)12-7-3-1-2-6-11(12)10-15(17)18/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,17,18).
What are the key properties of 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid?
2-[2-(2-fluorophenyl)cycloheptyl]acetic acid has a molecular weight of 250.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)cycloheptyl]acetic acid is sourced from PubChem (CID 82244846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).