(2S)-4-amino-1,1,1-trifluorobutan-2-ol

C4H8F3NO — CID 51886728

IUPAC(2S)-4-amino-1,1,1-trifluorobutan-2-ol
SMILESNCC[C@H](O)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)3(9)1-2-8/h3,9H,1-2,8H2/t3-/m0/s1
InChIKeyVRZHVYTYYVVFSE-VKHMYHEASA-N
MW143.11 g/mol
LogP0.26
Rot. Bonds2

About (2S)-4-amino-1,1,1-trifluorobutan-2-ol

(2S)-4-amino-1,1,1-trifluorobutan-2-ol (PubChem CID 51886728) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is (2S)-4-amino-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name(2S)-4-amino-1,1,1-trifluorobutan-2-ol
PubChem CID51886728
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name(2S)-4-amino-1,1,1-trifluorobutan-2-ol
SMILESNCC[C@H](O)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c5-4(6,7)3(9)1-2-8/h3,9H,1-2,8H2/t3-/m0/s1
InChIKeyVRZHVYTYYVVFSE-VKHMYHEASA-N
XLogP0.26
TPSA46.25 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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-4-amino-1,1,1-trifluorobutan-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

Related Compounds

(2S)-3-amino-1,1,1-trifluoropropan-2-ol
CID 2779001
1-amino-4,4-dimethylpentan-3-ol
CID 55283756
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
CID 135017833
2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride
CID 90120224
(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile
CID 10725545
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);zinc
CID 5231417
(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol
CID 129368619
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
1-amino-4-methoxy-4-methylpentan-3-ol
CID 130647917

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-1,1,1-trifluorobutan-2-ol?
The IUPAC name of (2S)-4-amino-1,1,1-trifluorobutan-2-ol (CID 51886728) is (2S)-4-amino-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for (2S)-4-amino-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for (2S)-4-amino-1,1,1-trifluorobutan-2-ol is NCC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-4-amino-1,1,1-trifluorobutan-2-ol?
The InChIKey is VRZHVYTYYVVFSE-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8F3NO/c5-4(6,7)3(9)1-2-8/h3,9H,1-2,8H2/t3-/m0/s1.
What are the key properties of (2S)-4-amino-1,1,1-trifluorobutan-2-ol?
(2S)-4-amino-1,1,1-trifluorobutan-2-ol has a molecular weight of 143.11 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 51886728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).