4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane

C15H28F3NO — CID 177029774

IUPAC4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
SMILESCC(C)C1CCC(N2CCOCC2)CC1.CC(F)(F)F
InChIInChI=1S/C13H25NO.C2H3F3/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-2(3,4)5/h11-13H,3-10H2,1-2H3;1H3
InChIKeyXOSCDTGADXLCAZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.10
Rot. Bonds2

About 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane

4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane (PubChem CID 177029774) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
PubChem CID177029774
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
SMILESCC(C)C1CCC(N2CCOCC2)CC1.CC(F)(F)F
InChIInChI=1S/C13H25NO.C2H3F3/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-2(3,4)5/h11-13H,3-10H2,1-2H3;1H3
InChIKeyXOSCDTGADXLCAZ-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane?
The IUPAC name of 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane (CID 177029774) is 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane.
What is the SMILES notation for 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane?
The canonical SMILES for 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane is CC(C)C1CCC(N2CCOCC2)CC1.CC(F)(F)F.
What is the InChIKey of 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane?
The InChIKey is XOSCDTGADXLCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C2H3F3/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-2(3,4)5/h11-13H,3-10H2,1-2H3;1H3.
What are the key properties of 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane?
4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane has a molecular weight of 295.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane is sourced from PubChem (CID 177029774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).