2-amino-N-(2,2,2-trifluoroethyl)propanamide

C5H9F3N2O — CID 24690825

IUPAC2-amino-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyHUMQBXRKDQYSTI-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.01
Rot. Bonds2

About 2-amino-N-(2,2,2-trifluoroethyl)propanamide

2-amino-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 24690825) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID24690825
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(N)C(=O)NCC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyHUMQBXRKDQYSTI-UHFFFAOYSA-N
XLogP0.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
CID 130551934
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
CID 115427893
(2R)-2-amino-N-(2,2,2-trifluoroethyl)propanethioamide
CID 86722617
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
2-amino-3-(dimethylamino)-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 90238662
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]azanium chloride
CID 90216700
(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)propanamide (CID 24690825) is 2-amino-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)propanamide is CC(N)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HUMQBXRKDQYSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-3(9)4(11)10-2-5(6,7)8/h3H,2,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 170.13 g/mol, XLogP of 0.01, 2 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)propanamide is sourced from PubChem (CID 24690825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).