1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene

C19H27F3 — CID 57132254

IUPAC1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
SMILESCCCCCCC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H27F3/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20,21)22/h11-16H,2-10H2,1H3
InChIKeyACMCKOGGHYLPOX-UHFFFAOYSA-N
MW312.42 g/mol
LogP6.95
Rot. Bonds6

About 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene

1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene (PubChem CID 57132254) has the molecular formula C19H27F3 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
PubChem CID57132254
Molecular FormulaC19H27F3
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
SMILESCCCCCCC1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H27F3/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20,21)22/h11-16H,2-10H2,1H3
InChIKeyACMCKOGGHYLPOX-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 56.95
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-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-octylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoroethyl)phenyl]benzene
CID 23188504
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
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(1,1,2,2,2-pentafluoroethyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20539154

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene (CID 57132254) is 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene is CCCCCCC1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene?
The InChIKey is ACMCKOGGHYLPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20,21)22/h11-16H,2-10H2,1H3.
What are the key properties of 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene?
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene has a molecular weight of 312.42 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 57132254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).