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

C11H12F3NO — CID 95757165

IUPAC(3S)-3-[4-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc([C@H]2COCCN2)cc1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4,10,15H,5-7H2/t10-/m1/s1
InChIKeyCKCJOQMDMYPVKX-SNVBAGLBSA-N
MW231.22 g/mol
LogP2.37
Rot. Bonds1

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

(3S)-3-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 95757165) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (3S)-3-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID95757165
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(3S)-3-[4-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc([C@H]2COCCN2)cc1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4,10,15H,5-7H2/t10-/m1/s1
InChIKeyCKCJOQMDMYPVKX-SNVBAGLBSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of (3S)-3-[4-(trifluoromethyl)phenyl]morpholine (CID 95757165) is (3S)-3-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for (3S)-3-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for (3S)-3-[4-(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1ccc([C@H]2COCCN2)cc1.
What is the InChIKey of (3S)-3-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is CKCJOQMDMYPVKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4,10,15H,5-7H2/t10-/m1/s1.
What are the key properties of (3S)-3-[4-(trifluoromethyl)phenyl]morpholine?
(3S)-3-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 231.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 95757165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).