1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene

C24H35F3 — CID 14985198

IUPAC1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F3/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)24(25,26)27/h14-21H,2-13H2,1H3
InChIKeyWBVCFDBHFIJZMB-UHFFFAOYSA-N
MW380.54 g/mol
LogP8.37
Rot. Bonds6

About 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene

1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene (PubChem CID 14985198) has the molecular formula C24H35F3 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
PubChem CID14985198
Molecular FormulaC24H35F3
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
SMILESCCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F3/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)24(25,26)27/h14-21H,2-13H2,1H3
InChIKeyWBVCFDBHFIJZMB-UHFFFAOYSA-N
XLogP8.37
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 ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(1,1,2,2-tetrafluoropentyl)benzene
CID 23188474
2-hexyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385313
1-(4-pentylcyclohexyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 19021199
pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54316605
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
1-(1,1,2,2,2-pentafluoroethyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20539154
1-(4-octylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoroethyl)phenyl]benzene
CID 23188504
1-(4-heptylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoropentyl)phenyl]benzene
CID 23188588

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene (CID 14985198) is 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene is CCCCCC1CCC(C2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene?
The InChIKey is WBVCFDBHFIJZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)24(25,26)27/h14-21H,2-13H2,1H3.
What are the key properties of 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene?
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene has a molecular weight of 380.54 g/mol, XLogP of 8.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 14985198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).