2-[(2,2,2-trifluoroacetyl)amino]ethylazanium

C4H8F3N2O+ — CID 36688932

IUPAC2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
SMILES[NH3+]CCNC(=O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O/c5-4(6,7)3(10)9-2-1-8/h1-2,8H2,(H,9,10)/p+1
InChIKeyZMBJWQJITKNQAY-UHFFFAOYSA-O
MW157.11 g/mol
LogP-1.09
Rot. Bonds2

About 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium

2-[(2,2,2-trifluoroacetyl)amino]ethylazanium (PubChem CID 36688932) has the molecular formula C4H8F3N2O+ and a molecular weight of 157.11 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium.

Molecular Properties

Compound Name2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
PubChem CID36688932
Molecular FormulaC4H8F3N2O+
Molecular Weight157.11 g/mol
Exact Mass157.06
IUPAC Name2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
SMILES[NH3+]CCNC(=O)C(F)(F)F
InChIInChI=1S/C4H7F3N2O/c5-4(6,7)3(10)9-2-1-8/h1-2,8H2,(H,9,10)/p+1
InChIKeyZMBJWQJITKNQAY-UHFFFAOYSA-O
XLogP-1.09
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-aminoethyl)acetamide
CID 66082
N-Ethyl-2,2,2-trifluoroacetamide
CID 581108
N-(2-aminoethyl)-2,2,2-trifluoroacetamide
CID 229755
Trifluoroacetylpiperazine
CID 7172020
2-Amino-N-(2,2,2-trifluoroethyl)acetamide
CID 24705143
N-(2-(Methylamino)ethyl)acetamide
CID 23046090
N-ethyl-2,2-difluoroacetamide
CID 45158835
N1,N2-(2-(2,2,2-Trifluoroacetamido)ethyl)ethane-1,2-diaminium Trifluoroacetate
CID 15938557
2,2,2-trifluoro-N-{2-[(trifluoroacetyl)amino]ethyl}acetamide
CID 229756
N,N',N''-(2,2',2''-Nitrilotriethyl)tris(2,2,2-trifluoroacetamide)
CID 3640837
2,2,2-Trifluoro-1-(piperazin-1-yl)ethan-1-one hydrochloride
CID 22722784
N,N-dimethyl-2-[(2,2,2-trifluoroethyl)amino]acetamide
CID 28595914

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium?
The IUPAC name of 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium (CID 36688932) is 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium.
What is the SMILES notation for 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium?
The canonical SMILES for 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium is [NH3+]CCNC(=O)C(F)(F)F.
What is the InChIKey of 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium?
The InChIKey is ZMBJWQJITKNQAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7F3N2O/c5-4(6,7)3(10)9-2-1-8/h1-2,8H2,(H,9,10)/p+1.
What are the key properties of 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium?
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium has a molecular weight of 157.11 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoroacetyl)amino]ethylazanium is sourced from PubChem (CID 36688932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).