1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene

C24H26F4 — CID 142924099

IUPAC1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene
SMILESC=C(/C=C(/CCc1ccc(C)cc1)c1cccc(C(C)(F)F)c1C)C(C)(F)F
InChIInChI=1S/C24H26F4/c1-16-9-11-19(12-10-16)13-14-20(15-17(2)23(4,25)26)21-7-6-8-22(18(21)3)24(5,27)28/h6-12,15H,2,13-14H2,1,3-5H3/b20-15-
InChIKeyAHGNWQQJNNKBAJ-HKWRFOASSA-N
MW390.46 g/mol
LogP7.64
Rot. Bonds7

About 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene

1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene (PubChem CID 142924099) has the molecular formula C24H26F4 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene
PubChem CID142924099
Molecular FormulaC24H26F4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC Name1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene
SMILESC=C(/C=C(/CCc1ccc(C)cc1)c1cccc(C(C)(F)F)c1C)C(C)(F)F
InChIInChI=1S/C24H26F4/c1-16-9-11-19(12-10-16)13-14-20(15-17(2)23(4,25)26)21-7-6-8-22(18(21)3)24(5,27)28/h6-12,15H,2,13-14H2,1,3-5H3/b20-15-
InChIKeyAHGNWQQJNNKBAJ-HKWRFOASSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene?
The IUPAC name of 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene (CID 142924099) is 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene.
What is the SMILES notation for 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene?
The canonical SMILES for 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene is C=C(/C=C(/CCc1ccc(C)cc1)c1cccc(C(C)(F)F)c1C)C(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene?
The InChIKey is AHGNWQQJNNKBAJ-HKWRFOASSA-N. The full InChI is InChI=1S/C24H26F4/c1-16-9-11-19(12-10-16)13-14-20(15-17(2)23(4,25)26)21-7-6-8-22(18(21)3)24(5,27)28/h6-12,15H,2,13-14H2,1,3-5H3/b20-15-.
What are the key properties of 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene?
1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene has a molecular weight of 390.46 g/mol, XLogP of 7.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-3-[(Z)-6,6-difluoro-5-methylidene-1-(4-methylphenyl)hept-3-en-3-yl]-2-methylbenzene is sourced from PubChem (CID 142924099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).