3-amino-2-(trifluoromethyl)butanamide;hydrochloride

C5H10ClF3N2O — CID 174921174

IUPAC3-amino-2-(trifluoromethyl)butanamide;hydrochloride
SMILESCC(N)C(C(N)=O)C(F)(F)F.Cl
InChIInChI=1S/C5H9F3N2O.ClH/c1-2(9)3(4(10)11)5(6,7)8;/h2-3H,9H2,1H3,(H2,10,11);1H
InChIKeyTXDNIDQYBUWXBC-UHFFFAOYSA-N
MW206.59 g/mol
LogP0.42
Rot. Bonds2

About 3-amino-2-(trifluoromethyl)butanamide;hydrochloride

3-amino-2-(trifluoromethyl)butanamide;hydrochloride (PubChem CID 174921174) has the molecular formula C5H10ClF3N2O and a molecular weight of 206.59 g/mol. Its IUPAC name is 3-amino-2-(trifluoromethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-(trifluoromethyl)butanamide;hydrochloride
PubChem CID174921174
Molecular FormulaC5H10ClF3N2O
Molecular Weight206.59 g/mol
Exact Mass206.04
IUPAC Name3-amino-2-(trifluoromethyl)butanamide;hydrochloride
SMILESCC(N)C(C(N)=O)C(F)(F)F.Cl
InChIInChI=1S/C5H9F3N2O.ClH/c1-2(9)3(4(10)11)5(6,7)8;/h2-3H,9H2,1H3,(H2,10,11);1H
InChIKeyTXDNIDQYBUWXBC-UHFFFAOYSA-N
XLogP0.42
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.59
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-aminopropanamide;dihydrochloride
CID 19963402
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
2-aminopropanamide;ethane
CID 156828005
(2S)-2-fluoropropanamide
CID 129374964
2,5-dimethyl-4-(trifluoromethyl)hexan-3-one
CID 157057366
(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133
1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 114081796
2-fluoro-3-hydroxy-2-nitrobutanamide
CID 141076590
(2S)-2-amino-4,4,4-trifluoro-3,3-dimethylbutanamide
CID 166839433
1,1,1-trifluorobutane-2,3-diamine
CID 130988807
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
2-aminopropanoic acid;2-hydroxypropanamide
CID 174928864

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(trifluoromethyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-2-(trifluoromethyl)butanamide;hydrochloride (CID 174921174) is 3-amino-2-(trifluoromethyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-(trifluoromethyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-(trifluoromethyl)butanamide;hydrochloride is CC(N)C(C(N)=O)C(F)(F)F.Cl.
What is the InChIKey of 3-amino-2-(trifluoromethyl)butanamide;hydrochloride?
The InChIKey is TXDNIDQYBUWXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O.ClH/c1-2(9)3(4(10)11)5(6,7)8;/h2-3H,9H2,1H3,(H2,10,11);1H.
What are the key properties of 3-amino-2-(trifluoromethyl)butanamide;hydrochloride?
3-amino-2-(trifluoromethyl)butanamide;hydrochloride has a molecular weight of 206.59 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(trifluoromethyl)butanamide;hydrochloride is sourced from PubChem (CID 174921174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).