2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

C6H12ClF3N2O — CID 122359947

IUPAC2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCCC(N)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C6H11F3N2O.ClH/c1-2-4(10)5(12)11-3-6(7,8)9;/h4H,2-3,10H2,1H3,(H,11,12);1H
InChIKeyRIQBPWHAXKLGFR-UHFFFAOYSA-N
MW220.62 g/mol
LogP0.82
Rot. Bonds3

About 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (PubChem CID 122359947) has the molecular formula C6H12ClF3N2O and a molecular weight of 220.62 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
PubChem CID122359947
Molecular FormulaC6H12ClF3N2O
Molecular Weight220.62 g/mol
Exact Mass220.06
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCCC(N)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C6H11F3N2O.ClH/c1-2-4(10)5(12)11-3-6(7,8)9;/h4H,2-3,10H2,1H3,(H,11,12);1H
InChIKeyRIQBPWHAXKLGFR-UHFFFAOYSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 90238662
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 119290996
2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]azanium chloride
CID 90216700
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
CID 115427879
2-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 90734304
(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 104864440
2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 89141345
(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 106254850

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (CID 122359947) is 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is CCC(N)C(=O)NCC(F)(F)F.Cl.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The InChIKey is RIQBPWHAXKLGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O.ClH/c1-2-4(10)5(12)11-3-6(7,8)9;/h4H,2-3,10H2,1H3,(H,11,12);1H.
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride has a molecular weight of 220.62 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is sourced from PubChem (CID 122359947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).