1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene

C29H40ClF3 — CID 54303334

IUPAC1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CCC(CCC3CCC(C4CCC(C=CCl)CC4)CC3)CC2)cc1
InChIInChI=1S/C29H40ClF3/c30-20-19-23-7-13-25(14-8-23)24-9-3-21(4-10-24)1-2-22-5-11-26(12-6-22)27-15-17-28(18-16-27)29(31,32)33/h15-26H,1-14H2
InChIKeySFTVIVMBQDJDBF-UHFFFAOYSA-N
MW481.09 g/mol
LogP10.12
Rot. Bonds6

About 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene

1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene (PubChem CID 54303334) has the molecular formula C29H40ClF3 and a molecular weight of 481.09 g/mol. Its IUPAC name is 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene
PubChem CID54303334
Molecular FormulaC29H40ClF3
Molecular Weight481.09 g/mol
Exact Mass480.28
IUPAC Name1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CCC(CCC3CCC(C4CCC(C=CCl)CC4)CC3)CC2)cc1
InChIInChI=1S/C29H40ClF3/c30-20-19-23-7-13-25(14-8-23)24-9-3-21(4-10-24)1-2-22-5-11-26(12-6-22)27-15-17-28(18-16-27)29(31,32)33/h15-26H,1-14H2
InChIKeySFTVIVMBQDJDBF-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.09
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene
CID 18656188
1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene
CID 139629431
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
(E)-5-[4-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]cyclohexyl]pent-2-enenitrile
CID 19613878
1-(4-buta-1,3-dienylcyclohexyl)-4-(trifluoromethyl)benzene
CID 173325624
4-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54204639
5-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 18656529
1-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-4-propoxybenzene
CID 18656241
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
(E)-3-[4-[[4-[4-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]cyclohexyl]prop-2-enenitrile
CID 19613483
4-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-2-fluoro-1-methylbenzene
CID 18656305
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene (CID 54303334) is 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C2CCC(CCC3CCC(C4CCC(C=CCl)CC4)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene?
The InChIKey is SFTVIVMBQDJDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40ClF3/c30-20-19-23-7-13-25(14-8-23)24-9-3-21(4-10-24)1-2-22-5-11-26(12-6-22)27-15-17-28(18-16-27)29(31,32)33/h15-26H,1-14H2.
What are the key properties of 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene?
1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene has a molecular weight of 481.09 g/mol, XLogP of 10.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 54303334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).