(E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid

C16H19FO2 — CID 135262726

IUPAC(E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid
SMILESCCCCCC(/C=C/C(=O)O)=C\c1ccc(F)cc1
InChIInChI=1S/C16H19FO2/c1-2-3-4-5-13(8-11-16(18)19)12-14-6-9-15(17)10-7-14/h6-12H,2-5H2,1H3,(H,18,19)/b11-8+,13-12+
InChIKeyJNTKVQKBAJIMHS-OWKCIBLPSA-N
MW262.32 g/mol
LogP4.43
Rot. Bonds7

About (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid

(E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid (PubChem CID 135262726) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid.

Molecular Properties

Compound Name(E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid
PubChem CID135262726
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name(E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid
SMILESCCCCCC(/C=C/C(=O)O)=C\c1ccc(F)cc1
InChIInChI=1S/C16H19FO2/c1-2-3-4-5-13(8-11-16(18)19)12-14-6-9-15(17)10-7-14/h6-12H,2-5H2,1H3,(H,18,19)/b11-8+,13-12+
InChIKeyJNTKVQKBAJIMHS-OWKCIBLPSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,6E)-6-[(4-fluorophenyl)methylidene]undec-4-en-3-one
CID 167589505
methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate
CID 175798965
(2E)-2-[(4-fluorophenyl)methylidene]heptanal
CID 135262924
(E,4E)-4-[(4-fluorophenyl)methylidene]-2-methylnon-2-enoic acid
CID 175798929
ethyl (E,4E)-4-[(4-fluorophenyl)methylidene]-2-methyldec-2-enoate
CID 142405635
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
CID 7428997
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
(E,4Z)-4-benzylidene-1-(3-methylphenyl)non-2-en-1-one
CID 19571079
but-2-enedioic acid;undecane
CID 157202832
(Z)-but-2-enedioic acid;docosanoic acid
CID 175696241
but-2-enedioic acid;decanoic acid
CID 173319986
(Z)-but-2-enedioic acid;hexadecanoic acid
CID 160962830

Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid?
The IUPAC name of (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid (CID 135262726) is (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid.
What is the SMILES notation for (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid?
The canonical SMILES for (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid is CCCCCC(/C=C/C(=O)O)=C\c1ccc(F)cc1.
What is the InChIKey of (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid?
The InChIKey is JNTKVQKBAJIMHS-OWKCIBLPSA-N. The full InChI is InChI=1S/C16H19FO2/c1-2-3-4-5-13(8-11-16(18)19)12-14-6-9-15(17)10-7-14/h6-12H,2-5H2,1H3,(H,18,19)/b11-8+,13-12+.
What are the key properties of (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid?
(E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid has a molecular weight of 262.32 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid is sourced from PubChem (CID 135262726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).