2-fluoro-6-(3-propylphenyl)benzoic acid

C16H15FO2 — CID 114560373

IUPAC2-fluoro-6-(3-propylphenyl)benzoic acid
SMILESCCCc1cccc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C16H15FO2/c1-2-5-11-6-3-7-12(10-11)13-8-4-9-14(17)15(13)16(18)19/h3-4,6-10H,2,5H2,1H3,(H,18,19)
InChIKeyKBRQEXPLDMCWQF-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.14
Rot. Bonds4

About 2-fluoro-6-(3-propylphenyl)benzoic acid

2-fluoro-6-(3-propylphenyl)benzoic acid (PubChem CID 114560373) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-fluoro-6-(3-propylphenyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(3-propylphenyl)benzoic acid
PubChem CID114560373
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-fluoro-6-(3-propylphenyl)benzoic acid
SMILESCCCc1cccc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C16H15FO2/c1-2-5-11-6-3-7-12(10-11)13-8-4-9-14(17)15(13)16(18)19/h3-4,6-10H,2,5H2,1H3,(H,18,19)
InChIKeyKBRQEXPLDMCWQF-UHFFFAOYSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-propylphenyl)benzoic acid?
The IUPAC name of 2-fluoro-6-(3-propylphenyl)benzoic acid (CID 114560373) is 2-fluoro-6-(3-propylphenyl)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(3-propylphenyl)benzoic acid?
The canonical SMILES for 2-fluoro-6-(3-propylphenyl)benzoic acid is CCCc1cccc(-c2cccc(F)c2C(=O)O)c1.
What is the InChIKey of 2-fluoro-6-(3-propylphenyl)benzoic acid?
The InChIKey is KBRQEXPLDMCWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-2-5-11-6-3-7-12(10-11)13-8-4-9-14(17)15(13)16(18)19/h3-4,6-10H,2,5H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-6-(3-propylphenyl)benzoic acid?
2-fluoro-6-(3-propylphenyl)benzoic acid has a molecular weight of 258.29 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-propylphenyl)benzoic acid is sourced from PubChem (CID 114560373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).