6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene

C25H35F3O — CID 23132558

IUPAC6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCC(c3ccc4c(c3)CCC(C(F)(F)F)O4)CC2)CC1
InChIInChI=1S/C25H35F3O/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-23-22(16-21)13-15-24(29-23)25(26,27)28/h12,14,16-20,24H,2-11,13,15H2,1H3
InChIKeyZAUPZZYJPPHPQZ-UHFFFAOYSA-N
MW408.55 g/mol
LogP7.82
Rot. Bonds4

About 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene

6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 23132558) has the molecular formula C25H35F3O and a molecular weight of 408.55 g/mol. Its IUPAC name is 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID23132558
Molecular FormulaC25H35F3O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCC(c3ccc4c(c3)CCC(C(F)(F)F)O4)CC2)CC1
InChIInChI=1S/C25H35F3O/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-23-22(16-21)13-15-24(29-23)25(26,27)28/h12,14,16-20,24H,2-11,13,15H2,1H3
InChIKeyZAUPZZYJPPHPQZ-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 23132558) is 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene is CCCC1CCC(C2CCC(c3ccc4c(c3)CCC(C(F)(F)F)O4)CC2)CC1.
What is the InChIKey of 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is ZAUPZZYJPPHPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3O/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-23-22(16-21)13-15-24(29-23)25(26,27)28/h12,14,16-20,24H,2-11,13,15H2,1H3.
What are the key properties of 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 408.55 g/mol, XLogP of 7.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 23132558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).