(2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol

C4H8F3NO — CID 58442301

IUPAC(2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESC[C@](O)(CN)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-3(9,2-8)4(5,6)7/h9H,2,8H2,1H3/t3-/m0/s1
InChIKeyTYJCFMFELXBCOZ-VKHMYHEASA-N
MW143.11 g/mol
LogP0.26
Rot. Bonds1

About (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol

(2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 58442301) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID58442301
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name(2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESC[C@](O)(CN)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-3(9,2-8)4(5,6)7/h9H,2,8H2,1H3/t3-/m0/s1
InChIKeyTYJCFMFELXBCOZ-VKHMYHEASA-N
XLogP0.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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)-3-amino-1,1,1-trifluoro-2-methylpropan-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

2-Propanol, 1-amino-2-methyl-
CID 95102
3-Amino-1,1,1-trifluoro-2-(trifluoromethyl)propan-2-ol
CID 12023677
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol hydrochloride
CID 71757351
3-Amino-1,1-difluoro-2-methylpropan-2-ol
CID 80611068
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol
CID 13620759
1,1,1-Trifluoro-2-methyl-3-(methylamino)propan-2-ol
CID 18720359
2-Butanol,3-amino-1,1,1-trifluoro-2-methyl-,(2R,3S)-
CID 21585367
2-Propanol, 3-amino-2-(aminomethyl)-1,1,1-trifluoro-
CID 24809748
2-(Aminomethyl)-1,1,1-trifluorobutan-2-ol
CID 55255128
3-Amino-4,4,4-trifluoro-2-methylbutan-2-ol hydrochloride
CID 57436252
3-Amino-4,4,4-trifluoro-2-methylbutan-2-ol
CID 57436253
2-(Aminomethyl)-1,1,1-trifluoro-3-methylbutan-2-ol
CID 58442343

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol (CID 58442301) is (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol is C[C@](O)(CN)C(F)(F)F.
What is the InChIKey of (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is TYJCFMFELXBCOZ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8F3NO/c1-3(9,2-8)4(5,6)7/h9H,2,8H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol?
(2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 143.11 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 58442301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).