1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene

C18H23F — CID 143694215

IUPAC1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene
SMILESC=C(/C=C\C(=C/C)CCc1ccc(F)cc1)CCC
InChIInChI=1S/C18H23F/c1-4-6-15(3)7-8-16(5-2)9-10-17-11-13-18(19)14-12-17/h5,7-8,11-14H,3-4,6,9-10H2,1-2H3/b8-7-,16-5+
InChIKeyOSSCCBCCGVEDQL-OPMQWOTMSA-N
MW258.38 g/mol
LogP5.62
Rot. Bonds7

About 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene

1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene (PubChem CID 143694215) has the molecular formula C18H23F and a molecular weight of 258.38 g/mol. Its IUPAC name is 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene
PubChem CID143694215
Molecular FormulaC18H23F
Molecular Weight258.38 g/mol
Exact Mass258.18
IUPAC Name1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene
SMILESC=C(/C=C\C(=C/C)CCc1ccc(F)cc1)CCC
InChIInChI=1S/C18H23F/c1-4-6-15(3)7-8-16(5-2)9-10-17-11-13-18(19)14-12-17/h5,7-8,11-14H,3-4,6,9-10H2,1-2H3/b8-7-,16-5+
InChIKeyOSSCCBCCGVEDQL-OPMQWOTMSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-(3-methylbut-3-enyl)benzene
CID 24721825
1-fluoro-4-propylbenzene
CID 2737505
4-[(Z)-3,6-dimethylideneoct-4-enyl]aniline
CID 145059876
1-ethoxy-2,3-difluoro-4-[(2E,4Z)-6-methylidene-8-(4-propylphenyl)octa-2,4-dien-3-yl]benzene
CID 138534906
butane;(2Z,4Z)-3-ethyl-6-methylidenedeca-2,4-diene;2-(4-fluorophenyl)-1-(furan-2-yl)ethanone;toluene
CID 143694242
[(E)-3-methylidenehex-4-enyl]benzene
CID 15074252
1-[(E)-but-2-enyl]-4-fluorobenzene
CID 13240703
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
1-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene
CID 145203948
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
[4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol
CID 142370781
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene?
The IUPAC name of 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene (CID 143694215) is 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene?
The canonical SMILES for 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene is C=C(/C=C\C(=C/C)CCc1ccc(F)cc1)CCC.
What is the InChIKey of 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene?
The InChIKey is OSSCCBCCGVEDQL-OPMQWOTMSA-N. The full InChI is InChI=1S/C18H23F/c1-4-6-15(3)7-8-16(5-2)9-10-17-11-13-18(19)14-12-17/h5,7-8,11-14H,3-4,6,9-10H2,1-2H3/b8-7-,16-5+.
What are the key properties of 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene?
1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene has a molecular weight of 258.38 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,3Z)-3-ethylidene-6-methylidenenon-4-enyl]-4-fluorobenzene is sourced from PubChem (CID 143694215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).