1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene

C23H22F4O — CID 143875229

IUPAC1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene
SMILESC=C(/C=C/C(=C)C(=C)/C(F)=C(\F)C(=C)OCC)/C=C/c1ccc(C)c(F)c1F
InChIInChI=1S/C23H22F4O/c1-7-28-18(6)22(26)21(25)17(5)15(3)10-8-14(2)9-12-19-13-11-16(4)20(24)23(19)27/h8-13H,2-3,5-7H2,1,4H3/b10-8-,12-9+,22-21-
InChIKeyHILZASIBUVOGFL-YJOLGXLJSA-N
MW390.42 g/mol
LogP7.21
Rot. Bonds9

About 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene

1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene (PubChem CID 143875229) has the molecular formula C23H22F4O and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene
PubChem CID143875229
Molecular FormulaC23H22F4O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene
SMILESC=C(/C=C/C(=C)C(=C)/C(F)=C(\F)C(=C)OCC)/C=C/c1ccc(C)c(F)c1F
InChIInChI=1S/C23H22F4O/c1-7-28-18(6)22(26)21(25)17(5)15(3)10-8-14(2)9-12-19-13-11-16(4)20(24)23(19)27/h8-13H,2-3,5-7H2,1,4H3/b10-8-,12-9+,22-21-
InChIKeyHILZASIBUVOGFL-YJOLGXLJSA-N
XLogP7.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene with MolForge

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Related Compounds

4-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-3-fluorophenol
CID 143875201
2,3-difluoro-1-[(1E,4Z,8E)-9-fluoro-10-methyl-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-4-methylbenzene
CID 143875025
4-[(3Z,7Z)-9-ethoxy-7,8-difluoro-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorophenol
CID 143875307
1-[(1E,4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 143909058
(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
CID 145009677
4,5-difluoro-7-methyl-3-[(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-5,6,9,10-tetramethylidene-13-prop-2-enoxytetradeca-1,3,7,11,13-pentaen-2-yl]-1,2-dihydronaphthalene
CID 143772889
1-ethenyl-4-[(4Z,8E)-10-ethoxy-8-fluoro-3,6,7-trimethylideneundeca-4,8,10-trienyl]-2,3-difluorobenzene
CID 143875063
1-[(7E)-9-ethoxy-8-fluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]-2,3-difluoro-4-[(E)-prop-1-enyl]benzene
CID 143875234
(3Z,7Z,11Z,14E)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-propoxyoctadeca-1,3,7,11,14-pentaene
CID 143772841
1-[4-[(3Z)-5-ethoxy-3,4-difluoro-2-methylidenehexa-3,5-dienoxy]phenyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 143909647
(E)-3-(4-ethoxy-2,3-difluorophenyl)prop-2-enoic acid
CID 46737624
1-[4-[(4Z)-6-ethoxy-4,5-difluoro-3-methylidenehepta-4,6-dienyl]phenyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 143909216

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene (CID 143875229) is 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene is C=C(/C=C/C(=C)C(=C)/C(F)=C(\F)C(=C)OCC)/C=C/c1ccc(C)c(F)c1F.
What is the InChIKey of 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is HILZASIBUVOGFL-YJOLGXLJSA-N. The full InChI is InChI=1S/C23H22F4O/c1-7-28-18(6)22(26)21(25)17(5)15(3)10-8-14(2)9-12-19-13-11-16(4)20(24)23(19)27/h8-13H,2-3,5-7H2,1,4H3/b10-8-,12-9+,22-21-.
What are the key properties of 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene?
1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 390.42 g/mol, XLogP of 7.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,4Z,8Z)-10-ethoxy-8,9-difluoro-3,6,7-trimethylideneundeca-1,4,8,10-tetraenyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 143875229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).