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

C11H11ClF3NO — CID 171193456

IUPAC(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc([C@H]2COCCN2)cc1Cl
InChIInChI=1S/C11H11ClF3NO/c12-9-5-7(10-6-17-4-3-16-10)1-2-8(9)11(13,14)15/h1-2,5,10,16H,3-4,6H2/t10-/m1/s1
InChIKeyTZWBGNJVUOMYAI-SNVBAGLBSA-N
MW265.66 g/mol
LogP3.02
Rot. Bonds1

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

(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine (PubChem CID 171193456) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is (3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine
PubChem CID171193456
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc([C@H]2COCCN2)cc1Cl
InChIInChI=1S/C11H11ClF3NO/c12-9-5-7(10-6-17-4-3-16-10)1-2-8(9)11(13,14)15/h1-2,5,10,16H,3-4,6H2/t10-/m1/s1
InChIKeyTZWBGNJVUOMYAI-SNVBAGLBSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-morpholin-3-ylphenol
CID 82613251
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
(3S)-3-(3-bromo-4-chlorophenyl)morpholine
CID 130748628
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine
CID 118888705
(3S)-3-(5-chloro-6-fluoro-3-pyridinyl)morpholine
CID 130647727
(3S)-3-[3-bromo-5-(trifluoromethyl)phenyl]morpholine
CID 171193208
(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
CID 171192773
(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
CID 171192736
(4S)-4-[3-chloro-4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171186001
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
2-fluoro-4-[(3R)-morpholin-3-yl]phenol
CID 96758561

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of (3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine (CID 171193456) is (3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for (3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for (3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1ccc([C@H]2COCCN2)cc1Cl.
What is the InChIKey of (3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is TZWBGNJVUOMYAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c12-9-5-7(10-6-17-4-3-16-10)1-2-8(9)11(13,14)15/h1-2,5,10,16H,3-4,6H2/t10-/m1/s1.
What are the key properties of (3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine?
(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 265.66 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 171193456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).