[4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol

C10H19F3N2O2 — CID 81206094

IUPAC[4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol
SMILESCC(N)C(N1CC(CO)OCC1C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-6-5-17-8(4-16)3-15(6)9(7(2)14)10(11,12)13/h6-9,16H,3-5,14H2,1-2H3
InChIKeyAOUSOQSHWNBGEJ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.35
Rot. Bonds3

About [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol

[4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81206094) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol
PubChem CID81206094
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name[4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol
SMILESCC(N)C(N1CC(CO)OCC1C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-6-5-17-8(4-16)3-15(6)9(7(2)14)10(11,12)13/h6-9,16H,3-5,14H2,1-2H3
InChIKeyAOUSOQSHWNBGEJ-UHFFFAOYSA-N
XLogP0.35
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol (CID 81206094) is [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol is CC(N)C(N1CC(CO)OCC1C)C(F)(F)F.
What is the InChIKey of [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is AOUSOQSHWNBGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-6-5-17-8(4-16)3-15(6)9(7(2)14)10(11,12)13/h6-9,16H,3-5,14H2,1-2H3.
What are the key properties of [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol?
[4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 256.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1,1,1-trifluorobutan-2-yl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81206094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).