4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane

C15H28F3NO — CID 170587880

IUPAC4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane
SMILESCC.CC1(C)CCC(N2CCOCC2C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO.C2H6/c1-12(2)5-3-10(4-6-12)17-7-8-18-9-11(17)13(14,15)16;1-2/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyLZVFMYNXLDPHOJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.24
Rot. Bonds1

About 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane

4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane (PubChem CID 170587880) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane
PubChem CID170587880
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane
SMILESCC.CC1(C)CCC(N2CCOCC2C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO.C2H6/c1-12(2)5-3-10(4-6-12)17-7-8-18-9-11(17)13(14,15)16;1-2/h10-11H,3-9H2,1-2H3;1-2H3
InChIKeyLZVFMYNXLDPHOJ-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane (CID 170587880) is 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane is CC.CC1(C)CCC(N2CCOCC2C(F)(F)F)CC1.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane?
The InChIKey is LZVFMYNXLDPHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO.C2H6/c1-12(2)5-3-10(4-6-12)17-7-8-18-9-11(17)13(14,15)16;1-2/h10-11H,3-9H2,1-2H3;1-2H3.
What are the key properties of 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane?
4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane has a molecular weight of 295.39 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)-3-(trifluoromethyl)morpholine;ethane is sourced from PubChem (CID 170587880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).