2-(4-fluoroanilino)non-8-enoic acid

C15H20FNO2 — CID 66915540

IUPAC2-(4-fluoroanilino)non-8-enoic acid
SMILESC=CCCCCCC(Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-2-3-4-5-6-7-14(15(18)19)17-13-10-8-12(16)9-11-13/h2,8-11,14,17H,1,3-7H2,(H,18,19)
InChIKeyJVWDGBPNDHEXPA-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.83
Rot. Bonds9

About 2-(4-fluoroanilino)non-8-enoic acid

2-(4-fluoroanilino)non-8-enoic acid (PubChem CID 66915540) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(4-fluoroanilino)non-8-enoic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)non-8-enoic acid
PubChem CID66915540
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-(4-fluoroanilino)non-8-enoic acid
SMILESC=CCCCCCC(Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-2-3-4-5-6-7-14(15(18)19)17-13-10-8-12(16)9-11-13/h2,8-11,14,17H,1,3-7H2,(H,18,19)
InChIKeyJVWDGBPNDHEXPA-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-fluoro-3-methylanilino)non-8-enoic acid
CID 58176629
(2S)-2-(3-fluoro-5-methylanilino)non-8-enoic acid
CID 58176953
2-[3-(trifluoromethoxy)anilino]non-8-enoic acid
CID 66915365
(2R)-2-(4-fluoroanilino)-3-prop-2-enylsulfinylpropanoic acid
CID 175870822
methyl 2-(3,5-difluoroanilino)non-8-enoate
CID 66915358
methyl 2-(3,4-difluoroanilino)non-8-enoate
CID 66915558
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
(2R)-2-methylnon-8-enoic acid
CID 129385535
2-(4-methylanilino)nonanoic acid
CID 63524441
4-(1-carboxypentadecylamino)benzoic acid
CID 57200267
2-(4-bromoanilino)octanoic acid
CID 55223557
2-[(4-fluorophenyl)methyl]hept-6-enoic acid
CID 79418629

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)non-8-enoic acid?
The IUPAC name of 2-(4-fluoroanilino)non-8-enoic acid (CID 66915540) is 2-(4-fluoroanilino)non-8-enoic acid.
What is the SMILES notation for 2-(4-fluoroanilino)non-8-enoic acid?
The canonical SMILES for 2-(4-fluoroanilino)non-8-enoic acid is C=CCCCCCC(Nc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-(4-fluoroanilino)non-8-enoic acid?
The InChIKey is JVWDGBPNDHEXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-3-4-5-6-7-14(15(18)19)17-13-10-8-12(16)9-11-13/h2,8-11,14,17H,1,3-7H2,(H,18,19).
What are the key properties of 2-(4-fluoroanilino)non-8-enoic acid?
2-(4-fluoroanilino)non-8-enoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)non-8-enoic acid is sourced from PubChem (CID 66915540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).