2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene

C27H40F2O — CID 59795280

IUPAC2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
SMILESCCC1CCC(CCC2CCC(c3cc4c(c(F)c3F)OC(CC)CC4)CC2)CC1
InChIInChI=1S/C27H40F2O/c1-3-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)24-17-22-15-16-23(4-2)30-27(22)26(29)25(24)28/h17-21,23H,3-16H2,1-2H3
InChIKeyCUXNROJELWXLCM-UHFFFAOYSA-N
MW418.61 g/mol
LogP8.34
Rot. Bonds6

About 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene

2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene (PubChem CID 59795280) has the molecular formula C27H40F2O and a molecular weight of 418.61 g/mol. Its IUPAC name is 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
PubChem CID59795280
Molecular FormulaC27H40F2O
Molecular Weight418.61 g/mol
Exact Mass418.30
IUPAC Name2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
SMILESCCC1CCC(CCC2CCC(c3cc4c(c(F)c3F)OC(CC)CC4)CC2)CC1
InChIInChI=1S/C27H40F2O/c1-3-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)24-17-22-15-16-23(4-2)30-27(22)26(29)25(24)28/h17-21,23H,3-16H2,1-2H3
InChIKeyCUXNROJELWXLCM-UHFFFAOYSA-N
XLogP8.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.61
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene (CID 59795280) is 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene is CCC1CCC(CCC2CCC(c3cc4c(c(F)c3F)OC(CC)CC4)CC2)CC1.
What is the InChIKey of 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene?
The InChIKey is CUXNROJELWXLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40F2O/c1-3-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)24-17-22-15-16-23(4-2)30-27(22)26(29)25(24)28/h17-21,23H,3-16H2,1-2H3.
What are the key properties of 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene?
2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene has a molecular weight of 418.61 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).