4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine

C15H26F3NO — CID 170589069

IUPAC4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
SMILESCC(C)C1(C)CCC(N2CCOCC2C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-11(2)14(3)6-4-12(5-7-14)19-8-9-20-10-13(19)15(16,17)18/h11-13H,4-10H2,1-3H3
InChIKeyHMUBNRQSOUXBGS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.85
Rot. Bonds2

About 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine

4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine (PubChem CID 170589069) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
PubChem CID170589069
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
SMILESCC(C)C1(C)CCC(N2CCOCC2C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-11(2)14(3)6-4-12(5-7-14)19-8-9-20-10-13(19)15(16,17)18/h11-13H,4-10H2,1-3H3
InChIKeyHMUBNRQSOUXBGS-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine?
The IUPAC name of 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine (CID 170589069) is 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine is CC(C)C1(C)CCC(N2CCOCC2C(F)(F)F)CC1.
What is the InChIKey of 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine?
The InChIKey is HMUBNRQSOUXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-11(2)14(3)6-4-12(5-7-14)19-8-9-20-10-13(19)15(16,17)18/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine?
4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine has a molecular weight of 293.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine is sourced from PubChem (CID 170589069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).