(2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine

C13H12F3N3O2S — CID 171653436

IUPAC(2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine
SMILESFC(F)(F)c1nnc(Oc2cccc([C@@H]3CNCCO3)c2)s1
InChIInChI=1S/C13H12F3N3O2S/c14-13(15,16)11-18-19-12(22-11)21-9-3-1-2-8(6-9)10-7-17-4-5-20-10/h1-3,6,10,17H,4-5,7H2/t10-/m0/s1
InChIKeyWLJCUCHJWUZMHW-JTQLQIEISA-N
MW331.32 g/mol
LogP3.01
Rot. Bonds3

About (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine

(2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine (PubChem CID 171653436) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine
PubChem CID171653436
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC Name(2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine
SMILESFC(F)(F)c1nnc(Oc2cccc([C@@H]3CNCCO3)c2)s1
InChIInChI=1S/C13H12F3N3O2S/c14-13(15,16)11-18-19-12(22-11)21-9-3-1-2-8(6-9)10-7-17-4-5-20-10/h1-3,6,10,17H,4-5,7H2/t10-/m0/s1
InChIKeyWLJCUCHJWUZMHW-JTQLQIEISA-N
XLogP3.01
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3-pyridin-4-yloxyphenyl)morpholine
CID 171653433
(2R)-2-(3-pyrimidin-5-yloxyphenyl)morpholine
CID 171653449
(2R)-2-[3-(1-methylimidazol-4-yl)oxyphenyl]morpholine
CID 171653490
(2R)-2-(3-pyrimidin-4-yloxyphenyl)morpholine
CID 171653353
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
2-[3-(3-methoxyphenyl)phenyl]morpholine
CID 82092915
azane;2-phenylmorpholine
CID 174664757
2-[3-(trifluoromethyl)phenyl]-1,4-oxazepane
CID 43498386
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine?
The IUPAC name of (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine (CID 171653436) is (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine.
What is the SMILES notation for (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine?
The canonical SMILES for (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine is FC(F)(F)c1nnc(Oc2cccc([C@@H]3CNCCO3)c2)s1.
What is the InChIKey of (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine?
The InChIKey is WLJCUCHJWUZMHW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c14-13(15,16)11-18-19-12(22-11)21-9-3-1-2-8(6-9)10-7-17-4-5-20-10/h1-3,6,10,17H,4-5,7H2/t10-/m0/s1.
What are the key properties of (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine?
(2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine has a molecular weight of 331.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]morpholine is sourced from PubChem (CID 171653436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).