[4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol

C7H12F3NO2 — CID 82397971

IUPAC[4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol
SMILESOCC1CN(CC(F)(F)F)CCO1
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)5-11-1-2-13-6(3-11)4-12/h6,12H,1-5H2
InChIKeyUBKJVKBKSSDKDT-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.24
Rot. Bonds2

About [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol

[4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol (PubChem CID 82397971) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol
PubChem CID82397971
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name[4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol
SMILESOCC1CN(CC(F)(F)F)CCO1
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)5-11-1-2-13-6(3-11)4-12/h6,12H,1-5H2
InChIKeyUBKJVKBKSSDKDT-UHFFFAOYSA-N
XLogP0.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Morpholinopropane-1,2-diol
CID 110850
(4-Methyl-2-morpholinyl)methanol
CID 13949887
1-(4-Methylmorpholin-2-yl)ethan-1-ol
CID 70032131
(6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 137944418
1,1,1-Trifluoro-3-morpholin-4-ylpropan-2-ol
CID 4422171
2-(2-(Hydroxymethyl)-6-methylmorpholin-4-yl)ethan-1-ol
CID 102934988
[(2R)-4-methylmorpholin-2-yl]methanol hydrochloride
CID 170911184
N-methyl-N-[2-hydroxy-6,6,7,7-tetrafluoro-4-oxa-heptyl]morpholinium iodide
CID 129761950
1-(Morpholin-4-yl)-6,8,8,9,11,11,12,12,13,13,13-undecafluoro-6,9-bis(trifluoromethyl)-4,7,10-trioxa-tridecanol-2
CID 129761960
(2S)-3-[2-morpholin-4-ylethyl(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 71858498
1,1,1-Trifluoro-3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 121516307
1-Morpholino-3-(2,2,3,3,4,4,5,5-octafluoropentyloxy)-2-propanol
CID 58855409

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol (CID 82397971) is [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol is OCC1CN(CC(F)(F)F)CCO1.
What is the InChIKey of [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol?
The InChIKey is UBKJVKBKSSDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c8-7(9,10)5-11-1-2-13-6(3-11)4-12/h6,12H,1-5H2.
What are the key properties of [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol?
[4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol has a molecular weight of 199.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 82397971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).