(5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine

C17H24F2O — CID 142981246

IUPAC(5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine
SMILESCCC1CCC(C2CC/C=C/C=C(F)\C(F)=C\O2)CC1
InChIInChI=1S/C17H24F2O/c1-2-13-8-10-14(11-9-13)17-7-5-3-4-6-15(18)16(19)12-20-17/h3-4,6,12-14,17H,2,5,7-11H2,1H3/b4-3+,15-6+,16-12-
InChIKeySPBZPGMLAISLGY-LBVVPXIHSA-N
MW282.37 g/mol
LogP5.60
Rot. Bonds2

About (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine

(5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine (PubChem CID 142981246) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine.

Molecular Properties

Compound Name(5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine
PubChem CID142981246
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name(5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine
SMILESCCC1CCC(C2CC/C=C/C=C(F)\C(F)=C\O2)CC1
InChIInChI=1S/C17H24F2O/c1-2-13-8-10-14(11-9-13)17-7-5-3-4-6-15(18)16(19)12-20-17/h3-4,6,12-14,17H,2,5,7-11H2,1H3/b4-3+,15-6+,16-12-
InChIKeySPBZPGMLAISLGY-LBVVPXIHSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.37
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine?
The IUPAC name of (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine (CID 142981246) is (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine.
What is the SMILES notation for (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine?
The canonical SMILES for (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine is CCC1CCC(C2CC/C=C/C=C(F)\C(F)=C\O2)CC1.
What is the InChIKey of (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine?
The InChIKey is SPBZPGMLAISLGY-LBVVPXIHSA-N. The full InChI is InChI=1S/C17H24F2O/c1-2-13-8-10-14(11-9-13)17-7-5-3-4-6-15(18)16(19)12-20-17/h3-4,6,12-14,17H,2,5,7-11H2,1H3/b4-3+,15-6+,16-12-.
What are the key properties of (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine?
(5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine has a molecular weight of 282.37 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9Z)-2-(4-ethylcyclohexyl)-8,9-difluoro-3,4-dihydro-2H-oxecine is sourced from PubChem (CID 142981246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).