1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene

C17H23F3 — CID 59590181

IUPAC1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
SMILESCC(C)(C)C1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C17H23F3/c1-15(2,3)16(10-5-4-6-11-16)13-8-7-9-14(12-13)17(18,19)20/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyQPMIBXNCTBXYIB-UHFFFAOYSA-N
MW284.37 g/mol
LogP5.95
Rot. Bonds1

About 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene

1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene (PubChem CID 59590181) has the molecular formula C17H23F3 and a molecular weight of 284.37 g/mol. Its IUPAC name is 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
PubChem CID59590181
Molecular FormulaC17H23F3
Molecular Weight284.37 g/mol
Exact Mass284.18
IUPAC Name1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
SMILESCC(C)(C)C1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C17H23F3/c1-15(2,3)16(10-5-4-6-11-16)13-8-7-9-14(12-13)17(18,19)20/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyQPMIBXNCTBXYIB-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.37
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
CID 53318453
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
CID 65007104
(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 124566972
2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid
CID 115050759
1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
CID 43119035
1-(1-isocyanocyclopropyl)-3-(trifluoromethyl)benzene
CID 105464720
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 64754384
N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 166663654
3-[1-(1,1-difluoroethyl)cyclohexyl]benzaldehyde
CID 84729037
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene (CID 59590181) is 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene is CC(C)(C)C1(c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene?
The InChIKey is QPMIBXNCTBXYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3/c1-15(2,3)16(10-5-4-6-11-16)13-8-7-9-14(12-13)17(18,19)20/h7-9,12H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene?
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene has a molecular weight of 284.37 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 59590181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).