2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol

C11H12F3NO2 — CID 171259740

IUPAC2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1[C@H]1COCCN1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)7-1-2-10(16)8(5-7)9-6-17-4-3-15-9/h1-2,5,9,15-16H,3-4,6H2/t9-/m1/s1
InChIKeyOLUWMUVIBHCGPO-SECBINFHSA-N
MW247.22 g/mol
LogP2.07
Rot. Bonds1

About 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol

2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol (PubChem CID 171259740) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol
PubChem CID171259740
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1[C@H]1COCCN1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)7-1-2-10(16)8(5-7)9-6-17-4-3-15-9/h1-2,5,9,15-16H,3-4,6H2/t9-/m1/s1
InChIKeyOLUWMUVIBHCGPO-SECBINFHSA-N
XLogP2.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine
CID 83439762
(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
CID 171192773
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
4-amino-2-[(3R)-morpholin-3-yl]phenol
CID 131097023
2-morpholin-3-ylphenol
CID 55294349
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
4,5-difluoro-2-morpholin-3-ylphenol
CID 84783766
5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699
4-methyl-6-morpholin-3-ylbenzene-1,3-diol
CID 84780563
(3R)-3-[4-fluoro-2-(trifluoromethyl)phenyl]morpholine;hydrochloride
CID 171192736
4-bromo-2-[(3R)-morpholin-3-yl]-6-(trifluoromethyl)phenol
CID 171259729
3-fluoro-4-morpholin-3-ylphenol
CID 55271299

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol?
The IUPAC name of 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol (CID 171259740) is 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)cc1[C@H]1COCCN1.
What is the InChIKey of 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol?
The InChIKey is OLUWMUVIBHCGPO-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)7-1-2-10(16)8(5-7)9-6-17-4-3-15-9/h1-2,5,9,15-16H,3-4,6H2/t9-/m1/s1.
What are the key properties of 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol?
2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol has a molecular weight of 247.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol is sourced from PubChem (CID 171259740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).