3-[[4-(trifluoromethyl)phenyl]methyl]morpholine

C12H14F3NO — CID 82294585

IUPAC3-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1ccc(CC2COCCN2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-9(2-4-10)7-11-8-17-6-5-16-11/h1-4,11,16H,5-8H2
InChIKeyKTZJLUZNWTZOQG-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.24
Rot. Bonds2

About 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine

3-[[4-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 82294585) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID82294585
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1ccc(CC2COCCN2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-9(2-4-10)7-11-8-17-6-5-16-11/h1-4,11,16H,5-8H2
InChIKeyKTZJLUZNWTZOQG-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine (CID 82294585) is 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine is FC(F)(F)c1ccc(CC2COCCN2)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is KTZJLUZNWTZOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-9(2-4-10)7-11-8-17-6-5-16-11/h1-4,11,16H,5-8H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
3-[[4-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 245.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 82294585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).