2-fluoro-3,5-dipentylbenzoic acid

C17H25FO2 — CID 130263525

IUPAC2-fluoro-3,5-dipentylbenzoic acid
SMILESCCCCCc1cc(CCCCC)c(F)c(C(=O)O)c1
InChIInChI=1S/C17H25FO2/c1-3-5-7-9-13-11-14(10-8-6-4-2)16(18)15(12-13)17(19)20/h11-12H,3-10H2,1-2H3,(H,19,20)
InChIKeyNLUJQZKETMCZRG-UHFFFAOYSA-N
MW280.38 g/mol
LogP4.99
Rot. Bonds9

About 2-fluoro-3,5-dipentylbenzoic acid

2-fluoro-3,5-dipentylbenzoic acid (PubChem CID 130263525) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-fluoro-3,5-dipentylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-3,5-dipentylbenzoic acid
PubChem CID130263525
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name2-fluoro-3,5-dipentylbenzoic acid
SMILESCCCCCc1cc(CCCCC)c(F)c(C(=O)O)c1
InChIInChI=1S/C17H25FO2/c1-3-5-7-9-13-11-14(10-8-6-4-2)16(18)15(12-13)17(19)20/h11-12H,3-10H2,1-2H3,(H,19,20)
InChIKeyNLUJQZKETMCZRG-UHFFFAOYSA-N
XLogP4.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-3,5-dipentylbenzoic 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

2-hydroxy-3,5-dioctylbenzoic acid;zinc
CID 170425717
2-iodyl-3,5-dioctadecylbenzoic acid
CID 23357330
2-(3,5-dipentylphenyl)acetic acid
CID 78319081
2,3-difluoro-4-pentylbenzoic acid
CID 19103630
3,5-dioctylphthalic acid;pyridine
CID 174584296
2-fluoro-4-nonylbenzoic acid
CID 57292315
hydrogen carbonate;tris(2,4,6-trioctylphenyl)sulfanium
CID 160907403
4,5-dibutylphthalic acid
CID 57316661
3,5-dihexylbenzoic acid
CID 141246135
disodium;2-(2-fluoro-3,5-dipentylphenyl)acetate;2-(2-fluoro-3,5-dipentylphenyl)acetic acid;methane;oxido formate
CID 160750882
2-(2-fluoro-3-pentylphenyl)acetic acid
CID 78325101
2-nitro-5-octadecyl-3-sulfanylcarbonylbenzoic acid
CID 57209311

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,5-dipentylbenzoic acid?
The IUPAC name of 2-fluoro-3,5-dipentylbenzoic acid (CID 130263525) is 2-fluoro-3,5-dipentylbenzoic acid.
What is the SMILES notation for 2-fluoro-3,5-dipentylbenzoic acid?
The canonical SMILES for 2-fluoro-3,5-dipentylbenzoic acid is CCCCCc1cc(CCCCC)c(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-3,5-dipentylbenzoic acid?
The InChIKey is NLUJQZKETMCZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-3-5-7-9-13-11-14(10-8-6-4-2)16(18)15(12-13)17(19)20/h11-12H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-3,5-dipentylbenzoic acid?
2-fluoro-3,5-dipentylbenzoic acid has a molecular weight of 280.38 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,5-dipentylbenzoic acid is sourced from PubChem (CID 130263525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).