6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene

C28H38F6O — CID 59795337

IUPAC6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCc3cc(C4CCC(CC)CC4)c(C(F)(F)F)c(C(F)(F)F)c3O2)CC1
InChIInChI=1S/C28H38F6O/c1-3-5-18-8-12-20(13-9-18)23-15-14-21-16-22(19-10-6-17(4-2)7-11-19)24(27(29,30)31)25(26(21)35-23)28(32,33)34/h16-20,23H,3-15H2,1-2H3
InChIKeyIBVRHNLSXSPOJR-UHFFFAOYSA-N
MW504.60 g/mol
LogP9.71
Rot. Bonds5

About 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene

6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 59795337) has the molecular formula C28H38F6O and a molecular weight of 504.60 g/mol. Its IUPAC name is 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID59795337
Molecular FormulaC28H38F6O
Molecular Weight504.60 g/mol
Exact Mass504.28
IUPAC Name6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCc3cc(C4CCC(CC)CC4)c(C(F)(F)F)c(C(F)(F)F)c3O2)CC1
InChIInChI=1S/C28H38F6O/c1-3-5-18-8-12-20(13-9-18)23-15-14-21-16-22(19-10-6-17(4-2)7-11-19)24(27(29,30)31)25(26(21)35-23)28(32,33)34/h16-20,23H,3-15H2,1-2H3
InChIKeyIBVRHNLSXSPOJR-UHFFFAOYSA-N
XLogP9.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 59795337) is 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene is CCCC1CCC(C2CCc3cc(C4CCC(CC)CC4)c(C(F)(F)F)c(C(F)(F)F)c3O2)CC1.
What is the InChIKey of 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is IBVRHNLSXSPOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F6O/c1-3-5-18-8-12-20(13-9-18)23-15-14-21-16-22(19-10-6-17(4-2)7-11-19)24(27(29,30)31)25(26(21)35-23)28(32,33)34/h16-20,23H,3-15H2,1-2H3.
What are the key properties of 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene?
6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 504.60 g/mol, XLogP of 9.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).