1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene

C20H18F4O — CID 143875098

IUPAC1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene
SMILESC=C(/C=C/C(=C)C(=C)/C(F)=C(/F)C(=C)C)COc1cccc(F)c1F
InChIInChI=1S/C20H18F4O/c1-12(2)18(22)19(23)15(5)14(4)10-9-13(3)11-25-17-8-6-7-16(21)20(17)24/h6-10H,1,3-5,11H2,2H3/b10-9-,19-18-
InChIKeyQVLJFBZJQLZJGG-DEXHTJMYSA-N
MW350.36 g/mol
LogP6.30
Rot. Bonds8

About 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene

1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene (PubChem CID 143875098) has the molecular formula C20H18F4O and a molecular weight of 350.36 g/mol. Its IUPAC name is 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene
PubChem CID143875098
Molecular FormulaC20H18F4O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene
SMILESC=C(/C=C/C(=C)C(=C)/C(F)=C(/F)C(=C)C)COc1cccc(F)c1F
InChIInChI=1S/C20H18F4O/c1-12(2)18(22)19(23)15(5)14(4)10-9-13(3)11-25-17-8-6-7-16(21)20(17)24/h6-10H,1,3-5,11H2,2H3/b10-9-,19-18-
InChIKeyQVLJFBZJQLZJGG-DEXHTJMYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.36
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(3Z,7Z)-9-ethoxy-7,8-difluoro-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorophenol
CID 143875307
1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
CID 130719015
(Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine
CID 166159422
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
1-[(Z)-2,5-dimethylidenehept-3-enoxy]-2,3-difluoro-4-methoxybenzene
CID 145339808
2-fluoro-1-methyl-3-(2-methylprop-2-enoxy)benzene
CID 103988421
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
CID 175374084
CID 175374084
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene
CID 103988445

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene?
The IUPAC name of 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene (CID 143875098) is 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene is C=C(/C=C/C(=C)C(=C)/C(F)=C(/F)C(=C)C)COc1cccc(F)c1F.
What is the InChIKey of 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene?
The InChIKey is QVLJFBZJQLZJGG-DEXHTJMYSA-N. The full InChI is InChI=1S/C20H18F4O/c1-12(2)18(22)19(23)15(5)14(4)10-9-13(3)11-25-17-8-6-7-16(21)20(17)24/h6-10H,1,3-5,11H2,2H3/b10-9-,19-18-.
What are the key properties of 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene?
1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene has a molecular weight of 350.36 g/mol, XLogP of 6.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene is sourced from PubChem (CID 143875098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).