3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol

C9H16F3NO2 — CID 4712676

IUPAC3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1COCC(C)N1CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6-4-15-5-7(2)13(6)3-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyQIPOCGLARRJCHF-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.02
Rot. Bonds2

About 3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol

3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 4712676) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID4712676
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC1COCC(C)N1CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6-4-15-5-7(2)13(6)3-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyQIPOCGLARRJCHF-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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol (CID 4712676) is 3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol is CC1COCC(C)N1CC(O)C(F)(F)F.
What is the InChIKey of 3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is QIPOCGLARRJCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6-4-15-5-7(2)13(6)3-8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 3-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol?
3-(3,5-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-(3,5-dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 4712676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).