1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol

C8H16F3NO2 — CID 63899392

IUPAC1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
SMILESCOCC(C)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(5-14-3)12(2)4-7(13)8(9,10)11/h6-7,13H,4-5H2,1-3H3
InChIKeyGHDLATZECVXAIY-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.88
Rot. Bonds5

About 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol

1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol (PubChem CID 63899392) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
PubChem CID63899392
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
SMILESCOCC(C)N(C)CC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(5-14-3)12(2)4-7(13)8(9,10)11/h6-7,13H,4-5H2,1-3H3
InChIKeyGHDLATZECVXAIY-UHFFFAOYSA-N
XLogP0.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol (CID 63899392) is 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol is COCC(C)N(C)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
The InChIKey is GHDLATZECVXAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-6(5-14-3)12(2)4-7(13)8(9,10)11/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol has a molecular weight of 215.21 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol is sourced from PubChem (CID 63899392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).