6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene

C28H41F3O2 — CID 162549688

IUPAC6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene
SMILESCCC1CCC(C2CCc3cc(C4CCC(C(C)CC)CC4)cc(OC(F)(F)F)c3O2)CC1
InChIInChI=1S/C28H41F3O2/c1-4-18(3)20-10-12-21(13-11-20)24-16-23-14-15-25(22-8-6-19(5-2)7-9-22)32-27(23)26(17-24)33-28(29,30)31/h16-22,25H,4-15H2,1-3H3
InChIKeyNWPSIXDYBVHZMI-UHFFFAOYSA-N
MW466.63 g/mol
LogP8.82
Rot. Bonds6

About 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene

6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene (PubChem CID 162549688) has the molecular formula C28H41F3O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene
PubChem CID162549688
Molecular FormulaC28H41F3O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC Name6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene
SMILESCCC1CCC(C2CCc3cc(C4CCC(C(C)CC)CC4)cc(OC(F)(F)F)c3O2)CC1
InChIInChI=1S/C28H41F3O2/c1-4-18(3)20-10-12-21(13-11-20)24-16-23-14-15-25(22-8-6-19(5-2)7-9-22)32-27(23)26(17-24)33-28(29,30)31/h16-22,25H,4-15H2,1-3H3
InChIKeyNWPSIXDYBVHZMI-UHFFFAOYSA-N
XLogP8.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene with MolForge

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Related Compounds

5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 139710881
6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 59795337
1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene
CID 139710926
4-[4-[4-(2-cyclopentylbutyl)cyclohexyl]cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 22446775
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
CID 59795102
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluorobenzene
CID 122469905
1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710938
6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 162549687
1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromen-6-yl]propan-1-ol
CID 89242617
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene (CID 162549688) is 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene is CCC1CCC(C2CCc3cc(C4CCC(C(C)CC)CC4)cc(OC(F)(F)F)c3O2)CC1.
What is the InChIKey of 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene?
The InChIKey is NWPSIXDYBVHZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41F3O2/c1-4-18(3)20-10-12-21(13-11-20)24-16-23-14-15-25(22-8-6-19(5-2)7-9-22)32-27(23)26(17-24)33-28(29,30)31/h16-22,25H,4-15H2,1-3H3.
What are the key properties of 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene?
6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene has a molecular weight of 466.63 g/mol, XLogP of 8.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylcyclohexyl)-2-(4-ethylcyclohexyl)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 162549688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).