6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene

C24H33F3O — CID 162549687

IUPAC6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCC1CCc2cc(C3CCC(C4CCCCC4)CC3)cc(C(F)(F)F)c2O1
InChIInChI=1S/C24H33F3O/c1-2-21-13-12-19-14-20(15-22(23(19)28-21)24(25,26)27)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h14-18,21H,2-13H2,1H3
InChIKeyRZZOUDIXGGCEIE-UHFFFAOYSA-N
MW394.52 g/mol
LogP7.66
Rot. Bonds3

About 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene

6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 162549687) has the molecular formula C24H33F3O and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID162549687
Molecular FormulaC24H33F3O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCC1CCc2cc(C3CCC(C4CCCCC4)CC3)cc(C(F)(F)F)c2O1
InChIInChI=1S/C24H33F3O/c1-2-21-13-12-19-14-20(15-22(23(19)28-21)24(25,26)27)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h14-18,21H,2-13H2,1H3
InChIKeyRZZOUDIXGGCEIE-UHFFFAOYSA-N
XLogP7.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 162549687) is 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene is CCC1CCc2cc(C3CCC(C4CCCCC4)CC3)cc(C(F)(F)F)c2O1.
What is the InChIKey of 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is RZZOUDIXGGCEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3O/c1-2-21-13-12-19-14-20(15-22(23(19)28-21)24(25,26)27)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h14-18,21H,2-13H2,1H3.
What are the key properties of 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 394.52 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 162549687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).