(2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol

C7H9F3N2O — CID 51922088

IUPAC(2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol
SMILESNC[C@@](O)(c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6(13,4-11)5-1-2-12-3-5/h1-3,12-13H,4,11H2/t6-/m1/s1
InChIKeyIZBJXAQMSZIKAG-ZCFIWIBFSA-N
MW194.16 g/mol
LogP0.72
Rot. Bonds2

About (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol

(2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol (PubChem CID 51922088) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol
PubChem CID51922088
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol
SMILESNC[C@@](O)(c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6(13,4-11)5-1-2-12-3-5/h1-3,12-13H,4,11H2/t6-/m1/s1
InChIKeyIZBJXAQMSZIKAG-ZCFIWIBFSA-N
XLogP0.72
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)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

Related Compounds

1H-Pyrrole-3-methanol, alpha-(trifluoromethyl)-
CID 57116153
1,2,2,3,3,4,4-heptafluoro-1-(1H-pyrrol-3-yl)butan-1-ol
CID 88305356
1,2,2,3,4,4,4-heptafluoro-1-(1H-pyrrol-3-yl)butan-1-ol
CID 88305358
[1,2,2,3,3,4,4-heptafluoro-1-(1H-pyrrol-3-yl)butoxy]-trimethylsilane
CID 88334097
1,1,1,3,3,3-Hexafluoro-2-pyridin-1-ium-4-ylpropan-2-ol
CID 149173575
1-(1H-pyrrol-3-yl)ethane-1,2-diol
CID 82280055
1,1,1,3,3,3-Hexafluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
CID 12910759
3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol
CID 47003441
3-amino-1,1,1-trifluoro-2-(1-methyl-1H-pyrrol-3-yl)propan-2-ol
CID 47003442
(2R)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol
CID 51922086
(2R)-3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
CID 51922090
(2S)-3-amino-1,1,1-trifluoro-2-(1-methylpyrrol-3-yl)propan-2-ol
CID 51922092

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol?
The IUPAC name of (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol (CID 51922088) is (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol.
What is the SMILES notation for (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol?
The canonical SMILES for (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol is NC[C@@](O)(c1cc[nH]c1)C(F)(F)F.
What is the InChIKey of (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol?
The InChIKey is IZBJXAQMSZIKAG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)6(13,4-11)5-1-2-12-3-5/h1-3,12-13H,4,11H2/t6-/m1/s1.
What are the key properties of (2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol?
(2S)-3-amino-1,1,1-trifluoro-2-(1H-pyrrol-3-yl)propan-2-ol has a molecular weight of 194.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 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-(1H-pyrrol-3-yl)propan-2-ol is sourced from PubChem (CID 51922088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).