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

C12H14F3NO — CID 43367137

IUPAC5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC1COC(c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C12H14F3NO/c1-8-7-17-11(6-16-8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeyZCJMLVIKHNJCRW-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.75
Rot. Bonds1

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

5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 43367137) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID43367137
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC1COC(c2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C12H14F3NO/c1-8-7-17-11(6-16-8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeyZCJMLVIKHNJCRW-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine (CID 43367137) is 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine is CC1COC(c2ccc(C(F)(F)F)cc2)CN1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is ZCJMLVIKHNJCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8-7-17-11(6-16-8)9-2-4-10(5-3-9)12(13,14)15/h2-5,8,11,16H,6-7H2,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine?
5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 245.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 43367137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).