(2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol

C4H8F3NO — CID 58168849

IUPAC(2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
SMILESCNC[C@H](O)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-8-2-3(9)4(5,6)7/h3,8-9H,2H2,1H3/t3-/m0/s1
InChIKeyKUWNPQGEOONMLR-VKHMYHEASA-N
MW143.11 g/mol
LogP0.13
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol

(2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol (PubChem CID 58168849) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
PubChem CID58168849
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name(2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol
SMILESCNC[C@H](O)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-8-2-3(9)4(5,6)7/h3,8-9H,2H2,1H3/t3-/m0/s1
InChIKeyKUWNPQGEOONMLR-VKHMYHEASA-N
XLogP0.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-1,1,1-trifluoro-3-(methylamino)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 (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol (CID 58168849) is (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol is CNC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
The InChIKey is KUWNPQGEOONMLR-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8F3NO/c1-8-2-3(9)4(5,6)7/h3,8-9H,2H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol?
(2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol has a molecular weight of 143.11 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-(methylamino)propan-2-ol is sourced from PubChem (CID 58168849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).