methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate

C17H21FO2 — CID 175798965

IUPACmethyl 4-[(4-fluorophenyl)methylidene]non-2-enoate
SMILESCCCCCC(C=CC(=O)OC)=Cc1ccc(F)cc1
InChIInChI=1S/C17H21FO2/c1-3-4-5-6-14(9-12-17(19)20-2)13-15-7-10-16(18)11-8-15/h7-13H,3-6H2,1-2H3
InChIKeyGHAKXUXMFPXBOW-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.52
Rot. Bonds7

About methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate

methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate (PubChem CID 175798965) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate.

Molecular Properties

Compound Namemethyl 4-[(4-fluorophenyl)methylidene]non-2-enoate
PubChem CID175798965
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-[(4-fluorophenyl)methylidene]non-2-enoate
SMILESCCCCCC(C=CC(=O)OC)=Cc1ccc(F)cc1
InChIInChI=1S/C17H21FO2/c1-3-4-5-6-14(9-12-17(19)20-2)13-15-7-10-16(18)11-8-15/h7-13H,3-6H2,1-2H3
InChIKeyGHAKXUXMFPXBOW-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid
CID 135262726
(E,6E)-6-[(4-fluorophenyl)methylidene]undec-4-en-3-one
CID 167589505
(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
methyl 3-[4-[(E)-2-(4-fluorophenyl)-3-hydroxyprop-1-enyl]phenyl]prop-2-enoate
CID 68768999
methyl (2Z,4E)-5-(4-fluorophenyl)penta-2,4-dienoate
CID 115024471
methyl (2E)-2-[(4-fluorophenyl)methylidene]-3-oxopentanoate
CID 15924232
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
CID 7428997
methyl (E,4E)-4-benzylidene-2-methoxynon-2-enoate
CID 139785086
methyl 3-(4-hexoxyphenyl)prop-2-enoate
CID 54420743
methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
CID 18206230

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate?
The IUPAC name of methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate (CID 175798965) is methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate.
What is the SMILES notation for methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate?
The canonical SMILES for methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate is CCCCCC(C=CC(=O)OC)=Cc1ccc(F)cc1.
What is the InChIKey of methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate?
The InChIKey is GHAKXUXMFPXBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c1-3-4-5-6-14(9-12-17(19)20-2)13-15-7-10-16(18)11-8-15/h7-13H,3-6H2,1-2H3.
What are the key properties of methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate?
methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate has a molecular weight of 276.35 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate is sourced from PubChem (CID 175798965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).