[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol

C12H14F3NO2 — CID 171373474

IUPAC[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
SMILESOCC1CNC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)9-3-1-8(2-4-9)11-7-18-10(6-17)5-16-11/h1-4,10-11,16-17H,5-7H2
InChIKeyPEYGOWPWLORSAA-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.73
Rot. Bonds2

About [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol

[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol (PubChem CID 171373474) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
PubChem CID171373474
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
SMILESOCC1CNC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)9-3-1-8(2-4-9)11-7-18-10(6-17)5-16-11/h1-4,10-11,16-17H,5-7H2
InChIKeyPEYGOWPWLORSAA-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxan-2-yl]methanol
CID 125455976
(2S,4R)-2-(iodomethyl)-4-[4-(trifluoromethyl)phenyl]oxolane
CID 125456778
5-(4-tert-butylphenyl)-2-methylmorpholine
CID 82290188
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
[4-fluoro-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methanol
CID 123937249
5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 43367137
[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 162540634
[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol
CID 95004062
(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171184662
[(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol
CID 90769782
(2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine
CID 171193949
3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
CID 105470618

Frequently Asked Questions

What is the IUPAC name of [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol?
The IUPAC name of [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol (CID 171373474) is [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol?
The canonical SMILES for [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol is OCC1CNC(c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol?
The InChIKey is PEYGOWPWLORSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)9-3-1-8(2-4-9)11-7-18-10(6-17)5-16-11/h1-4,10-11,16-17H,5-7H2.
What are the key properties of [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol?
[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol has a molecular weight of 261.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 171373474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).