[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol

C11H21F3N2O2 — CID 114776412

IUPAC[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC(N)C(N1CC(CO)OC(C)(C)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-7(15)9(11(12,13)14)16-4-8(5-17)18-10(2,3)6-16/h7-9,17H,4-6,15H2,1-3H3
InChIKeyYITCVROISRDWSX-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.74
Rot. Bonds3

About [4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776412) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is [4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776412
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC(N)C(N1CC(CO)OC(C)(C)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-7(15)9(11(12,13)14)16-4-8(5-17)18-10(2,3)6-16/h7-9,17H,4-6,15H2,1-3H3
InChIKeyYITCVROISRDWSX-UHFFFAOYSA-N
XLogP0.74
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6,6-dimethyl-4-pentan-2-ylmorpholin-2-yl)methanol
CID 107886053
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
CID 114777322
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide
CID 114777135
N,N-diethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanamide
CID 114779602
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
CID 104969817
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913
6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine
CID 107887624
[4-(2-amino-1-pyridin-4-ylbutyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776411
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
CID 114776669
4,4,4-trifluoro-3-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
CID 63603323

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114776412) is [4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol is CC(N)C(N1CC(CO)OC(C)(C)C1)C(F)(F)F.
What is the InChIKey of [4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is YITCVROISRDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-7(15)9(11(12,13)14)16-4-8(5-17)18-10(2,3)6-16/h7-9,17H,4-6,15H2,1-3H3.
What are the key properties of [4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 270.29 g/mol, XLogP of 0.74, 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)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).