1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene

C33H35F3 — CID 70820677

IUPAC1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C4=CCC(C5CCC(C)CC5)CC4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C33H35F3/c1-3-22-16-19-30(33(36)32(22)35)27-14-10-25(11-15-27)28-17-18-29(31(34)20-28)26-12-8-24(9-13-26)23-6-4-21(2)5-7-23/h10-12,14-21,23-24H,3-9,13H2,1-2H3
InChIKeyAHVZYLYZEOIVCC-UHFFFAOYSA-N
MW488.64 g/mol
LogP10.01
Rot. Bonds5

About 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene

1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene (PubChem CID 70820677) has the molecular formula C33H35F3 and a molecular weight of 488.64 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
PubChem CID70820677
Molecular FormulaC33H35F3
Molecular Weight488.64 g/mol
Exact Mass488.27
IUPAC Name1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C4=CCC(C5CCC(C)CC5)CC4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C33H35F3/c1-3-22-16-19-30(33(36)32(22)35)27-14-10-25(11-15-27)28-17-18-29(31(34)20-28)26-12-8-24(9-13-26)23-6-4-21(2)5-7-23/h10-12,14-21,23-24H,3-9,13H2,1-2H3
InChIKeyAHVZYLYZEOIVCC-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738525
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-octylbenzene
CID 143772861
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-heptylbenzene
CID 67739612
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-propylbenzene
CID 77345707
1-decyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-prop-1-enylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 77345693
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-methoxybenzene
CID 67739436
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-hex-3-enylbenzene
CID 77345743
1-(4-cyclohexylcyclohexen-1-yl)-4-ethyl-2,3-difluorobenzene
CID 134252787
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-hex-5-enylbenzene
CID 88998259
CID 88998500
CID 88998500
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772392
1-[4-[2,3-difluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 67740179

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene (CID 70820677) is 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene is CCc1ccc(-c2ccc(-c3ccc(C4=CCC(C5CCC(C)CC5)CC4)c(F)c3)cc2)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene?
The InChIKey is AHVZYLYZEOIVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F3/c1-3-22-16-19-30(33(36)32(22)35)27-14-10-25(11-15-27)28-17-18-29(31(34)20-28)26-12-8-24(9-13-26)23-6-4-21(2)5-7-23/h10-12,14-21,23-24H,3-9,13H2,1-2H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene?
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene has a molecular weight of 488.64 g/mol, XLogP of 10.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene is sourced from PubChem (CID 70820677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).