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

C12H14F3NO — CID 743364

IUPAC4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-10(2-4-11)9-16-5-7-17-8-6-16/h1-4H,5-9H2
InChIKeyLOYDLLLZTLGYCE-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.54
Rot. Bonds2

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

4-[[4-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 743364) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID743364
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-10(2-4-11)9-16-5-7-17-8-6-16/h1-4H,5-9H2
InChIKeyLOYDLLLZTLGYCE-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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methyl]morpholine (CID 743364) is 4-[[4-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methyl]morpholine is FC(F)(F)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is LOYDLLLZTLGYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-10(2-4-11)9-16-5-7-17-8-6-16/h1-4H,5-9H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methyl]morpholine?
4-[[4-(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-[[4-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 743364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).