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

C12H14F3NO — CID 782689

IUPAC4-[[2-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1ccccc1CN1CCOCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4H,5-9H2
InChIKeyHJNXLHRYSGRKRY-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.54
Rot. Bonds2

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

4-[[2-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 782689) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID782689
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[[2-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1ccccc1CN1CCOCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4H,5-9H2
InChIKeyHJNXLHRYSGRKRY-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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Related Compounds

Morpholino(phenyl)acetonitrile
CID 85812
Thiobenzoylmorpholine
CID 16244
4-(3-Phenylpropyl)morpholine
CID 782728
2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-ol
CID 246288
4-Benzylmorpholine
CID 249546
4-Benzylmorpholine hydrochloride
CID 2849468
4-(2-Phenylpropyl)morpholine
CID 2845855
1-(1-Phenylcyclohexyl)morpholine hydrochloride
CID 121542
2-(Morpholin-4-ylmethyl)benzeneboronic acid
CID 11736160
4-Benzylmorpholine-2-carbonitrile
CID 15651195
4-(2-Phenylethyl)morpholine
CID 411956
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine (CID 782689) is 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine is FC(F)(F)c1ccccc1CN1CCOCC1.
What is the InChIKey of 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is HJNXLHRYSGRKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4H,5-9H2.
What are the key properties of 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine?
4-[[2-(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-[[2-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 782689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).