2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene

C18H19F3 — CID 20500358

IUPAC2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene
SMILESCC1CCC(c2ccc3cc(C(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C18H19F3/c1-12-2-4-13(5-3-12)14-6-7-16-11-17(18(19,20)21)9-8-15(16)10-14/h6-13H,2-5H2,1H3
InChIKeyQWPQODXGYYHFKG-UHFFFAOYSA-N
MW292.34 g/mol
LogP6.15
Rot. Bonds1

About 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene

2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene (PubChem CID 20500358) has the molecular formula C18H19F3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene
PubChem CID20500358
Molecular FormulaC18H19F3
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene
SMILESCC1CCC(c2ccc3cc(C(F)(F)F)ccc3c2)CC1
InChIInChI=1S/C18H19F3/c1-12-2-4-13(5-3-12)14-6-7-16-11-17(18(19,20)21)9-8-15(16)10-14/h6-13H,2-5H2,1H3
InChIKeyQWPQODXGYYHFKG-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500274
difluoro-[4-(4-methylcyclohexyl)phenyl]methanol
CID 70852484
2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117335176
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
2-[4-(4-methylcyclohexyl)phenyl]propan-2-ol
CID 117336939
1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-3,5-difluorobenzene-4-ide;yttrium(3+)
CID 18720934
1-(4-tert-butylphenyl)-2,3-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 91439286
2,6-dicyclopentylnaphthalene
CID 91354429
5-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methyl]-1,2,3-trifluorobenzene
CID 21134601
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene?
The IUPAC name of 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene (CID 20500358) is 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene.
What is the SMILES notation for 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene?
The canonical SMILES for 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene is CC1CCC(c2ccc3cc(C(F)(F)F)ccc3c2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene?
The InChIKey is QWPQODXGYYHFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3/c1-12-2-4-13(5-3-12)14-6-7-16-11-17(18(19,20)21)9-8-15(16)10-14/h6-13H,2-5H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene?
2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene has a molecular weight of 292.34 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene is sourced from PubChem (CID 20500358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).