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

C12H14F3NO — CID 1070044

IUPAC4-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-2-10(8-11)9-16-4-6-17-7-5-16/h1-3,8H,4-7,9H2
InChIKeyWRPBJSMGRMPPRB-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.54
Rot. Bonds2

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

4-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 1070044) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID1070044
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-2-10(8-11)9-16-4-6-17-7-5-16/h1-3,8H,4-7,9H2
InChIKeyWRPBJSMGRMPPRB-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[3-(trifluoromethyl)phenyl]methyl]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 4-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 1070044) is 4-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-(trifluoromethyl)phenyl]methyl]morpholine is FC(F)(F)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 4-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is WRPBJSMGRMPPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-2-10(8-11)9-16-4-6-17-7-5-16/h1-3,8H,4-7,9H2.
What are the key properties of 4-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 245.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 1070044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).