1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol

C7H14F3NO2 — CID 66279037

IUPAC1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol
SMILESCC(OCC(C)(O)CN)C(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-5(7(8,9)10)13-4-6(2,12)3-11/h5,12H,3-4,11H2,1-2H3
InChIKeyIUVJMKMAHUMUPU-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.66
Rot. Bonds4

About 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol

1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol (PubChem CID 66279037) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol
PubChem CID66279037
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol
SMILESCC(OCC(C)(O)CN)C(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-5(7(8,9)10)13-4-6(2,12)3-11/h5,12H,3-4,11H2,1-2H3
InChIKeyIUVJMKMAHUMUPU-UHFFFAOYSA-N
XLogP0.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol (CID 66279037) is 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol is CC(OCC(C)(O)CN)C(F)(F)F.
What is the InChIKey of 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol?
The InChIKey is IUVJMKMAHUMUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c1-5(7(8,9)10)13-4-6(2,12)3-11/h5,12H,3-4,11H2,1-2H3.
What are the key properties of 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol?
1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol has a molecular weight of 201.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 66279037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).