5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine

C15H20F3NO — CID 61250695

IUPAC5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)CC1COC(c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C15H20F3NO/c1-10(2)7-13-9-20-14(8-19-13)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13-14,19H,7-9H2,1-2H3
InChIKeyGKPYCGSJLQNBJG-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.78
Rot. Bonds3

About 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine

5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 61250695) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID61250695
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)CC1COC(c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C15H20F3NO/c1-10(2)7-13-9-20-14(8-19-13)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13-14,19H,7-9H2,1-2H3
InChIKeyGKPYCGSJLQNBJG-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 61250695) is 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine is CC(C)CC1COC(c2ccc(C(F)(F)F)cc2)CN1.
What is the InChIKey of 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is GKPYCGSJLQNBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10(2)7-13-9-20-14(8-19-13)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13-14,19H,7-9H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 287.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 61250695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).