1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol

C9H16F3NO2 — CID 63900405

IUPAC1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
SMILESCN(CC1CCCO1)CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-13(5-7-3-2-4-15-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyVMGPQXHEVSDNNL-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.02
Rot. Bonds4

About 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol

1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol (PubChem CID 63900405) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
PubChem CID63900405
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
SMILESCN(CC1CCCO1)CC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-13(5-7-3-2-4-15-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyVMGPQXHEVSDNNL-UHFFFAOYSA-N
XLogP1.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol (CID 63900405) is 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol is CN(CC1CCCO1)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is VMGPQXHEVSDNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-13(5-7-3-2-4-15-7)6-8(14)9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 1.02, 4 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-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 63900405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).