2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene

C24H37F3O — CID 67865672

IUPAC2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
SMILESCCCCC1CCC(C2CCC(C3=CCC(OCC(F)(F)F)C=C3)CC2)CC1
InChIInChI=1S/C24H37F3O/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-15-23(16-14-22)28-17-24(25,26)27/h13-15,18-21,23H,2-12,16-17H2,1H3
InChIKeyFUZDHCALEBUYIG-UHFFFAOYSA-N
MW398.55 g/mol
LogP7.62
Rot. Bonds7

About 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene

2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene (PubChem CID 67865672) has the molecular formula C24H37F3O and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
PubChem CID67865672
Molecular FormulaC24H37F3O
Molecular Weight398.55 g/mol
Exact Mass398.28
IUPAC Name2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
SMILESCCCCC1CCC(C2CCC(C3=CCC(OCC(F)(F)F)C=C3)CC2)CC1
InChIInChI=1S/C24H37F3O/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-15-23(16-14-22)28-17-24(25,26)27/h13-15,18-21,23H,2-12,16-17H2,1H3
InChIKeyFUZDHCALEBUYIG-UHFFFAOYSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene 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

2-[(E)-2-[4-(5,5-difluoropent-4-enyl)cyclohexyl]ethenyl]-5-[4-[(E)-prop-1-enyl]cyclohexyl]oxane
CID 20599526
5-[4-[4-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]butyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane
CID 20599971
5-[4-[4-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]cyclohexyl]butyl]-2-[(E)-pent-1-enyl]oxane
CID 20599973
5-[4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexyl]-2-[(E)-prop-1-enyl]oxane
CID 20600002
6,6-Difluoro-2-[4-(3-fluoro-4-methylcyclohex-3-en-1-yl)cyclohexyl]-5-methyl-2,3-dihydropyran
CID 53709254
2-(4-Propylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 53788398
1-Cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropent-1-enyl)cyclohexane
CID 53842951
6,6-Difluoro-5-methyl-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-2,3-dihydropyran
CID 53984882
6,6-Difluoro-5-methyl-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2,3-dihydropyran
CID 53987618
6,6-Difluoro-5-methyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2,3-dihydropyran
CID 54228211
1-Cyclohexyl-4-(5,5,5-trifluoro-4-propoxypent-1-enyl)cyclohexane
CID 54396473
2-[4-(3,3-Difluoro-4-methylcyclohexyl)cyclohexyl]-6,6-difluoro-5-methyl-2,3-dihydropyran
CID 54424465

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene?
The IUPAC name of 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene (CID 67865672) is 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene is CCCCC1CCC(C2CCC(C3=CCC(OCC(F)(F)F)C=C3)CC2)CC1.
What is the InChIKey of 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene?
The InChIKey is FUZDHCALEBUYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F3O/c1-2-3-4-18-5-7-19(8-6-18)20-9-11-21(12-10-20)22-13-15-23(16-14-22)28-17-24(25,26)27/h13-15,18-21,23H,2-12,16-17H2,1H3.
What are the key properties of 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene?
2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene has a molecular weight of 398.55 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylcyclohexyl)cyclohexyl]-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 67865672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).