2-fluoro-4-nonylbenzoic acid

C16H23FO2 — CID 57292315

IUPAC2-fluoro-4-nonylbenzoic acid
SMILESCCCCCCCCCc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C16H23FO2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16(18)19)15(17)12-13/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyKOCJOWJGNINPAT-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.82
Rot. Bonds9

About 2-fluoro-4-nonylbenzoic acid

2-fluoro-4-nonylbenzoic acid (PubChem CID 57292315) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-fluoro-4-nonylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-nonylbenzoic acid
PubChem CID57292315
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name2-fluoro-4-nonylbenzoic acid
SMILESCCCCCCCCCc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C16H23FO2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16(18)19)15(17)12-13/h10-12H,2-9H2,1H3,(H,18,19)
InChIKeyKOCJOWJGNINPAT-UHFFFAOYSA-N
XLogP4.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hexadecyl-2-methylbenzoic acid
CID 57019926
sodium 2-carboxy-5-octylphenolate
CID 101311118
sodium 2-carboxy-5-tetradecylphenolate
CID 101311329
sodium 2-carboxy-5-hexylphenolate
CID 101311048
2-bromo-4-pentylbenzoic acid
CID 15327817
2-cyano-4-hexylbenzoic acid
CID 19979097
2-fluoro-4-(pentoxymethyl)benzoic acid
CID 106698387
calcium bis(2-carboxy-4-hexadecylphenolate)
CID 54702490
bis(1,4-dioctylbenzene);phthalic acid
CID 174721036
2-fluoro-4-(5-pentylpyrimidin-2-yl)benzoic acid
CID 57180367
2,3-bis[(4-hexylphenyl)methyl]terephthalic acid
CID 141067954
2-fluoro-4-(hexylamino)benzoic acid
CID 115485484

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-nonylbenzoic acid?
The IUPAC name of 2-fluoro-4-nonylbenzoic acid (CID 57292315) is 2-fluoro-4-nonylbenzoic acid.
What is the SMILES notation for 2-fluoro-4-nonylbenzoic acid?
The canonical SMILES for 2-fluoro-4-nonylbenzoic acid is CCCCCCCCCc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-nonylbenzoic acid?
The InChIKey is KOCJOWJGNINPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16(18)19)15(17)12-13/h10-12H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-4-nonylbenzoic acid?
2-fluoro-4-nonylbenzoic acid has a molecular weight of 266.36 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-nonylbenzoic acid is sourced from PubChem (CID 57292315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).