1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene

C33H35F3 — CID 77343763

IUPAC1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene
SMILESCC=CCCc1ccc(-c2ccc(-c3ccc(C4=CCC(CCCC)CC4)cc3F)cc2)c(F)c1F
InChIInChI=1S/C33H35F3/c1-3-5-7-9-27-18-21-30(33(36)32(27)35)26-16-14-25(15-17-26)29-20-19-28(22-31(29)34)24-12-10-23(11-13-24)8-6-4-2/h3,5,12,14-23H,4,6-11,13H2,1-2H3
InChIKeyBZUHCKATUZPDTC-UHFFFAOYSA-N
MW488.64 g/mol
LogP10.32
Rot. Bonds9

About 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene

1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene (PubChem CID 77343763) has the molecular formula C33H35F3 and a molecular weight of 488.64 g/mol. Its IUPAC name is 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene.

Molecular Properties

Compound Name1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene
PubChem CID77343763
Molecular FormulaC33H35F3
Molecular Weight488.64 g/mol
Exact Mass488.27
IUPAC Name1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene
SMILESCC=CCCc1ccc(-c2ccc(-c3ccc(C4=CCC(CCCC)CC4)cc3F)cc2)c(F)c1F
InChIInChI=1S/C33H35F3/c1-3-5-7-9-27-18-21-30(33(36)32(27)35)26-16-14-25(15-17-26)29-20-19-28(22-31(29)34)24-12-10-23(11-13-24)8-6-4-2/h3,5,12,14-23H,4,6-11,13H2,1-2H3
InChIKeyBZUHCKATUZPDTC-UHFFFAOYSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butylcyclohexen-1-yl)-4-[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]phenyl]-2,3-difluorobenzene
CID 67732093
2,3-difluoro-1-[4-[3-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexen-1-yl]phenyl]phenyl]-4-nonylbenzene
CID 67731691
1-decyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-pent-3-enylcyclohexen-1-yl)phenyl]phenyl]benzene
CID 77343820
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-pentylbenzene
CID 77345625
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexen-1-yl)phenyl]phenyl]-4-pent-4-enylbenzene
CID 67731374
1-[4-(2,3-difluoro-4-hexylphenyl)phenyl]-2,3-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexen-1-yl]benzene
CID 67732009
2,3-difluoro-1-[4-[2-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-nonylbenzene
CID 67739266
1-but-2-enyl-4-[4-[4-(4-ethylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluorobenzene
CID 77343762
2,3-difluoro-4-[4-[2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexen-1-yl]phenyl]phenyl]phenol
CID 67748414
1-butyl-2,3-difluoro-4-(4-pent-3-enylcyclohexen-1-yl)benzene
CID 76631767
2,3-difluoro-1-[4-[3-fluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-4-octylbenzene
CID 67731546
2,3-difluoro-1-[4-[2-fluoro-4-[4-[(E)-pent-3-enyl]cyclohexen-1-yl]phenyl]phenyl]-4-propoxybenzene
CID 67731304

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene?
The IUPAC name of 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene (CID 77343763) is 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene.
What is the SMILES notation for 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene?
The canonical SMILES for 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene is CC=CCCc1ccc(-c2ccc(-c3ccc(C4=CCC(CCCC)CC4)cc3F)cc2)c(F)c1F.
What is the InChIKey of 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene?
The InChIKey is BZUHCKATUZPDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F3/c1-3-5-7-9-27-18-21-30(33(36)32(27)35)26-16-14-25(15-17-26)29-20-19-28(22-31(29)34)24-12-10-23(11-13-24)8-6-4-2/h3,5,12,14-23H,4,6-11,13H2,1-2H3.
What are the key properties of 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene?
1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene has a molecular weight of 488.64 g/mol, XLogP of 10.32, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene is sourced from PubChem (CID 77343763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).