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

C24H35F3 — CID 150463835

IUPAC1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(C(Cc2ccc(C(F)(F)F)cc2)C2CCCCC2)CC1
InChIInChI=1S/C24H35F3/c1-2-6-18-9-13-21(14-10-18)23(20-7-4-3-5-8-20)17-19-11-15-22(16-12-19)24(25,26)27/h11-12,15-16,18,20-21,23H,2-10,13-14,17H2,1H3
InChIKeyHQIKACLGVROTJI-UHFFFAOYSA-N
MW380.54 g/mol
LogP8.05
Rot. Bonds6

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

1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene (PubChem CID 150463835) has the molecular formula C24H35F3 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
PubChem CID150463835
Molecular FormulaC24H35F3
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
SMILESCCCC1CCC(C(Cc2ccc(C(F)(F)F)cc2)C2CCCCC2)CC1
InChIInChI=1S/C24H35F3/c1-2-6-18-9-13-21(14-10-18)23(20-7-4-3-5-8-20)17-19-11-15-22(16-12-19)24(25,26)27/h11-12,15-16,18,20-21,23H,2-10,13-14,17H2,1H3
InChIKeyHQIKACLGVROTJI-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
CID 150456742
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 62607269
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
1-(2-chloro-3-cyclopropylbutyl)-4-(trifluoromethyl)benzene
CID 83149862
1-(3-ethylcyclopentyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 65410943
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
CID 57234635
1-(2-bromo-3-cyclopropylpropyl)-4-(trifluoromethyl)benzene
CID 55224852
1-(3-ethylcyclohexyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65415744
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene (CID 150463835) is 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene is CCCC1CCC(C(Cc2ccc(C(F)(F)F)cc2)C2CCCCC2)CC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene?
The InChIKey is HQIKACLGVROTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3/c1-2-6-18-9-13-21(14-10-18)23(20-7-4-3-5-8-20)17-19-11-15-22(16-12-19)24(25,26)27/h11-12,15-16,18,20-21,23H,2-10,13-14,17H2,1H3.
What are the key properties of 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene?
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene has a molecular weight of 380.54 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 150463835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).