6-(4-fluorophenyl)hexanoic acid

C12H15FO2 — CID 14739735

IUPAC6-(4-fluorophenyl)hexanoic acid
SMILESO=C(O)CCCCCc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9H,1-5H2,(H,14,15)
InChIKeyCDSLZCNLWIKHJH-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.01
Rot. Bonds6

About 6-(4-fluorophenyl)hexanoic acid

6-(4-fluorophenyl)hexanoic acid (PubChem CID 14739735) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)hexanoic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)hexanoic acid
PubChem CID14739735
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name6-(4-fluorophenyl)hexanoic acid
SMILESO=C(O)CCCCCc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9H,1-5H2,(H,14,15)
InChIKeyCDSLZCNLWIKHJH-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.01
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

11-(4-fluorophenyl)undecanamide
CID 144640590
15-phenylpentadecanoic acid
CID 2737151
7-(4-iodophenyl)heptanoic acid
CID 177483295
10-(4-methylphenyl)decanoic acid
CID 54262490
6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 61182399
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
5-(4-fluorophenyl)pentaneperoxoic acid
CID 87783739
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
6-pyridin-4-ylhexanoic acid
CID 12904562
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
14-(4-sulfophenyl)tetradecanoic acid
CID 90747531
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)hexanoic acid?
The IUPAC name of 6-(4-fluorophenyl)hexanoic acid (CID 14739735) is 6-(4-fluorophenyl)hexanoic acid.
What is the SMILES notation for 6-(4-fluorophenyl)hexanoic acid?
The canonical SMILES for 6-(4-fluorophenyl)hexanoic acid is O=C(O)CCCCCc1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)hexanoic acid?
The InChIKey is CDSLZCNLWIKHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9H,1-5H2,(H,14,15).
What are the key properties of 6-(4-fluorophenyl)hexanoic acid?
6-(4-fluorophenyl)hexanoic acid has a molecular weight of 210.25 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)hexanoic acid is sourced from PubChem (CID 14739735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).