3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol

C9H16F3NO2 — CID 63901430

IUPAC3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1(C)CN(CC(O)C(F)(F)F)CCO1
InChIInChI=1S/C9H16F3NO2/c1-8(2)6-13(3-4-15-8)5-7(14)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyLKKBTZJDAGNOSY-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.02
Rot. Bonds2

About 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol

3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63901430) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID63901430
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1(C)CN(CC(O)C(F)(F)F)CCO1
InChIInChI=1S/C9H16F3NO2/c1-8(2)6-13(3-4-15-8)5-7(14)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyLKKBTZJDAGNOSY-UHFFFAOYSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-Dimethylmorpholino)ethanol
CID 12950853
alpha,2,6-Trimethylmorpholin-4-ylethanol
CID 98999
2-(2,6-Dimethyl-4-morpholinyl)ethanol
CID 340704
2-Methyl-1-morpholinopropan-2-ol
CID 22273170
2-((2S,6R)-2,6-dimethylmorpholino)ethanol
CID 53215760
1-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 53590537
1,1,1-Trifluoro-3-(morpholin-4-yl)propan-2-ol
CID 4422171
1,1-Difluoro-3-(4-methylmorpholin-4-ium-4-yl)propane-2,2-diol
CID 381784
N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
CID 95332225
1,1,1-Trifluoro-3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 121516307
2,6-Dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
CID 54007115
4-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]morpholine
CID 59012974

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol (CID 63901430) is 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol is CC1(C)CN(CC(O)C(F)(F)F)CCO1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is LKKBTZJDAGNOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-8(2)6-13(3-4-15-8)5-7(14)9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).