(2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide

C5H7F3N2O — CID 162564917

IUPAC(2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide
SMILESC[C@H](N)C(=O)/N=C/C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-3(9)4(11)10-2-5(6,7)8/h2-3H,9H2,1H3/b10-2+/t3-/m0/s1
InChIKeyNPJGEOVDWAQVGW-IZHDJAMQSA-N
MW168.12 g/mol
LogP0.49
Rot. Bonds1

About (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide

(2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide (PubChem CID 162564917) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide
PubChem CID162564917
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name(2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide
SMILESC[C@H](N)C(=O)/N=C/C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-3(9)4(11)10-2-5(6,7)8/h2-3H,9H2,1H3/b10-2+/t3-/m0/s1
InChIKeyNPJGEOVDWAQVGW-IZHDJAMQSA-N
XLogP0.49
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 130564993
(2R)-2-aminopropanoic acid
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CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
3,3-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde
CID 171530254
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroethanimine
CID 102263378
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]propan-1-one
CID 129496272
2-aminopropanamide;ethane
CID 156828005
CID 86589108
CID 86589108
2-aminopropanamide;dihydrochloride
CID 19963402
(2S)-2-aminopropanoate
CID 5460980

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide (CID 162564917) is (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide is C[C@H](N)C(=O)/N=C/C(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide?
The InChIKey is NPJGEOVDWAQVGW-IZHDJAMQSA-N. The full InChI is InChI=1S/C5H7F3N2O/c1-3(9)4(11)10-2-5(6,7)8/h2-3H,9H2,1H3/b10-2+/t3-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide?
(2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide has a molecular weight of 168.12 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2,2-trifluoroethylidene)propanamide is sourced from PubChem (CID 162564917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).