1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene

C28H36F2 — CID 77417239

IUPAC1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
SMILESC=CCCC1=CCC(C=CCCc2ccc(C3=CCC(CC)CC3)c(F)c2F)CC1
InChIInChI=1S/C28H36F2/c1-3-5-8-22-11-13-23(14-12-22)9-6-7-10-25-19-20-26(28(30)27(25)29)24-17-15-21(4-2)16-18-24/h3,6,9,11,17,19-21,23H,1,4-5,7-8,10,12-16,18H2,2H3
InChIKeyVXVBWZUVMZGMMM-UHFFFAOYSA-N
MW410.59 g/mol
LogP8.74
Rot. Bonds9

About 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene

1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene (PubChem CID 77417239) has the molecular formula C28H36F2 and a molecular weight of 410.59 g/mol. Its IUPAC name is 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
PubChem CID77417239
Molecular FormulaC28H36F2
Molecular Weight410.59 g/mol
Exact Mass410.28
IUPAC Name1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
SMILESC=CCCC1=CCC(C=CCCc2ccc(C3=CCC(CC)CC3)c(F)c2F)CC1
InChIInChI=1S/C28H36F2/c1-3-5-8-22-11-13-23(14-12-22)9-6-7-10-25-19-20-26(28(30)27(25)29)24-17-15-21(4-2)16-18-24/h3,6,9,11,17,19-21,23H,1,4-5,7-8,10,12-16,18H2,2H3
InChIKeyVXVBWZUVMZGMMM-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-butylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 77417237
1-[4-(4-ethylcyclohexyl)but-3-enyl]-4-[4-(4-ethylcyclohexyl)cyclohexen-1-yl]-2,3-difluorobenzene
CID 77417388
1-(4-but-3-enylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-nonylphenyl)phenyl]-2,3-difluorobenzene
CID 67732059
1-decyl-4-[4-[4-(4-ethenylcyclohexen-1-yl)-2,3-difluorophenyl]phenyl]-2,3-difluorobenzene
CID 67731943
1-butyl-2,3-difluoro-4-(4-pent-3-enylcyclohexen-1-yl)benzene
CID 76631767
1-(4-butylcyclohexen-1-yl)-4-[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]phenyl]-2,3-difluorobenzene
CID 67732093
1-[4-[4-[[2,3-difluoro-4-[(E)-pent-3-enyl]phenoxy]methyl]cyclohexen-1-yl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 88856344
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2,3-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexen-1-yl]benzene
CID 67731982
2,3-difluoro-1-[4-(4-pentylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-propylcyclohexyl)benzene
CID 77417232
1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
CID 142297519
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexen-1-yl)phenyl]phenyl]-4-pent-4-enylbenzene
CID 67731374
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)phenyl]but-1-enyl]cyclohexen-1-yl]benzene
CID 77417280

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
The IUPAC name of 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene (CID 77417239) is 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
The canonical SMILES for 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene is C=CCCC1=CCC(C=CCCc2ccc(C3=CCC(CC)CC3)c(F)c2F)CC1.
What is the InChIKey of 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
The InChIKey is VXVBWZUVMZGMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2/c1-3-5-8-22-11-13-23(14-12-22)9-6-7-10-25-19-20-26(28(30)27(25)29)24-17-15-21(4-2)16-18-24/h3,6,9,11,17,19-21,23H,1,4-5,7-8,10,12-16,18H2,2H3.
What are the key properties of 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene?
1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene has a molecular weight of 410.59 g/mol, XLogP of 8.74, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-but-3-enylcyclohex-3-en-1-yl)but-3-enyl]-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene is sourced from PubChem (CID 77417239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).