1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene

C15H19F3 — CID 126723002

IUPAC1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene
SMILESCCc1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3/c1-2-11-8-9-13(12-6-4-3-5-7-12)14(10-11)15(16,17)18/h8-10,12H,2-7H2,1H3
InChIKeyACSDPFVSFYPYPT-UHFFFAOYSA-N
MW256.31 g/mol
LogP5.32
Rot. Bonds2

About 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene

1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene (PubChem CID 126723002) has the molecular formula C15H19F3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene
PubChem CID126723002
Molecular FormulaC15H19F3
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene
SMILESCCc1ccc(C2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3/c1-2-11-8-9-13(12-6-4-3-5-7-12)14(10-11)15(16,17)18/h8-10,12H,2-7H2,1H3
InChIKeyACSDPFVSFYPYPT-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol
CID 140961429
1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
CID 118269320
6-[2-[4-cyclopentyl-3-(trifluoromethyl)phenyl]ethyl]-2-propyl-1H-benzimidazole
CID 146663485
4-(chloromethyl)-2-cyclohexyl-1-(trifluoromethyl)benzene
CID 176931119
[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methanol
CID 126723004
4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylbenzaldehyde
CID 87395567
4-[N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylbenzaldehyde
CID 86664753
ethyl 5-[4-cyclobutyl-3-(trifluoromethyl)phenyl]pentanoate
CID 158160937
4-bromo-1-cyclohexyl-2-(trifluoromethyl)benzene;1-cyclohexyl-2-(trifluoromethyl)benzene
CID 158368291
4-cycloheptyl-3-(trifluoromethyl)benzamide
CID 143924548
1-[[4-[2-[4-cyclohexyl-3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930730
5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 68832414

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene (CID 126723002) is 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene is CCc1ccc(C2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene?
The InChIKey is ACSDPFVSFYPYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3/c1-2-11-8-9-13(12-6-4-3-5-7-12)14(10-11)15(16,17)18/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene?
1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene has a molecular weight of 256.31 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 126723002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).