3-(2-fluoropropyl)benzoic acid

C10H11FO2 — CID 84658380

IUPAC3-(2-fluoropropyl)benzoic acid
SMILESCC(F)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C10H11FO2/c1-7(11)5-8-3-2-4-9(6-8)10(12)13/h2-4,6-7H,5H2,1H3,(H,12,13)
InChIKeySLKIBGZTCXFFJS-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.29
Rot. Bonds3

About 3-(2-fluoropropyl)benzoic acid

3-(2-fluoropropyl)benzoic acid (PubChem CID 84658380) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 3-(2-fluoropropyl)benzoic acid.

Molecular Properties

Compound Name3-(2-fluoropropyl)benzoic acid
PubChem CID84658380
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name3-(2-fluoropropyl)benzoic acid
SMILESCC(F)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C10H11FO2/c1-7(11)5-8-3-2-4-9(6-8)10(12)13/h2-4,6-7H,5H2,1H3,(H,12,13)
InChIKeySLKIBGZTCXFFJS-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-fluoropropyl)benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-bromopropyl)benzoic acid
CID 174573518
3-(2,5,5-trifluoropent-3-enyl)benzoic acid
CID 175473625
3-(3-amino-2-hydroxypropyl)benzoic acid
CID 83442546
3-[3-(2-fluoropropyl)phenyl]-3-methylbutanoic acid
CID 117349432
3-[2-[3-(2,2-dihydroxyethyl)phenyl]ethyl]benzoic acid
CID 18682979
3-ethylbenzoic acid;propane
CID 177324794
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300
2,2,3,3-tetrafluoro-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 114032586
3-(2,2,2-trifluoroethyl)benzoic acid
CID 14087914
3-(3-hydroxypentyl)benzoic acid
CID 174536442
3-(2-amino-2-nitroethyl)benzoic acid
CID 70169943
3-[(2,2-difluoroethylamino)methyl]benzoic acid
CID 103260425

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropyl)benzoic acid?
The IUPAC name of 3-(2-fluoropropyl)benzoic acid (CID 84658380) is 3-(2-fluoropropyl)benzoic acid.
What is the SMILES notation for 3-(2-fluoropropyl)benzoic acid?
The canonical SMILES for 3-(2-fluoropropyl)benzoic acid is CC(F)Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(2-fluoropropyl)benzoic acid?
The InChIKey is SLKIBGZTCXFFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7(11)5-8-3-2-4-9(6-8)10(12)13/h2-4,6-7H,5H2,1H3,(H,12,13).
What are the key properties of 3-(2-fluoropropyl)benzoic acid?
3-(2-fluoropropyl)benzoic acid has a molecular weight of 182.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropyl)benzoic acid is sourced from PubChem (CID 84658380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).