4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine

C13H16F3NO — CID 166443817

IUPAC4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine
SMILESC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C13H16F3NO/c1-10(17-6-8-18-9-7-17)11-2-4-12(5-3-11)13(14,15)16/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyLAWGDDFGHJEZLW-SNVBAGLBSA-N
MW259.27 g/mol
LogP3.10
Rot. Bonds2

About 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine

4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine (PubChem CID 166443817) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine
PubChem CID166443817
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine
SMILESC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C13H16F3NO/c1-10(17-6-8-18-9-7-17)11-2-4-12(5-3-11)13(14,15)16/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyLAWGDDFGHJEZLW-SNVBAGLBSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Morpholino(phenyl)acetonitrile
CID 85812
2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
CID 24761181
4-Benzylmorpholine
CID 249546
4-Benzylmorpholine hydrochloride
CID 2849468
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
4-(2-Phenylpropyl)morpholine
CID 2845855
1-(1-Phenylcyclohexyl)morpholine hydrochloride
CID 121542
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
4-(2-Phenylethyl)morpholine
CID 411956
Diethyl-[2-(4-methyl-piperazin-1-yl)-2-(4-trifluoromethyl-phenyl)-ethyl]-amine
CID 44404567
4-(2-{4-[Bis(4-fluoro-phenyl)-methyl]piperazine-1-yl}-ethyl)-morpholine
CID 44414004

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine (CID 166443817) is 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine is C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine?
The InChIKey is LAWGDDFGHJEZLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-10(17-6-8-18-9-7-17)11-2-4-12(5-3-11)13(14,15)16/h2-5,10H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine?
4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine has a molecular weight of 259.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine is sourced from PubChem (CID 166443817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).