[methyl-(2,2,2-trifluoroacetyl)amino]azanide

C3H4F3N2O- — CID 163589584

IUPAC[methyl-(2,2,2-trifluoroacetyl)amino]azanide
SMILESCN([NH-])C(=O)C(F)(F)F
InChIInChI=1S/C3H4F3N2O/c1-8(7)2(9)3(4,5)6/h7H,1H3/q-1
InChIKeyFTUPSWDMWZWDLX-UHFFFAOYSA-N
MW141.07 g/mol
LogP0.97
Rot. Bonds

About [methyl-(2,2,2-trifluoroacetyl)amino]azanide

[methyl-(2,2,2-trifluoroacetyl)amino]azanide (PubChem CID 163589584) has the molecular formula C3H4F3N2O- and a molecular weight of 141.07 g/mol. Its IUPAC name is [methyl-(2,2,2-trifluoroacetyl)amino]azanide.

Molecular Properties

Compound Name[methyl-(2,2,2-trifluoroacetyl)amino]azanide
PubChem CID163589584
Molecular FormulaC3H4F3N2O-
Molecular Weight141.07 g/mol
Exact Mass141.03
IUPAC Name[methyl-(2,2,2-trifluoroacetyl)amino]azanide
SMILESCN([NH-])C(=O)C(F)(F)F
InChIInChI=1S/C3H4F3N2O/c1-8(7)2(9)3(4,5)6/h7H,1H3/q-1
InChIKeyFTUPSWDMWZWDLX-UHFFFAOYSA-N
XLogP0.97
TPSA44.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.07
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2,2,2-trifluoro-N-methylacetamide
CID 115190151
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
2,2,2-trifluoro-N-methyl-N-(trifluoromethoxy)acetamide
CID 58694732
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide
CID 91721400
N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
CID 159443818
2,2,2-trifluoro-N,N-disilylacetamide
CID 123861253
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
2,2,2-trifluoro-N-[heptyl(dimethyl)silyl]-N-methylacetamide
CID 175690640
N-[dimethyl(pentadecyl)silyl]-2,2,2-trifluoro-N-methylacetamide
CID 175690586
N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91720800
1,1,1,3,3-pentafluorobutan-2-one
CID 21483509

Frequently Asked Questions

What is the IUPAC name of [methyl-(2,2,2-trifluoroacetyl)amino]azanide?
The IUPAC name of [methyl-(2,2,2-trifluoroacetyl)amino]azanide (CID 163589584) is [methyl-(2,2,2-trifluoroacetyl)amino]azanide.
What is the SMILES notation for [methyl-(2,2,2-trifluoroacetyl)amino]azanide?
The canonical SMILES for [methyl-(2,2,2-trifluoroacetyl)amino]azanide is CN([NH-])C(=O)C(F)(F)F.
What is the InChIKey of [methyl-(2,2,2-trifluoroacetyl)amino]azanide?
The InChIKey is FTUPSWDMWZWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3N2O/c1-8(7)2(9)3(4,5)6/h7H,1H3/q-1.
What are the key properties of [methyl-(2,2,2-trifluoroacetyl)amino]azanide?
[methyl-(2,2,2-trifluoroacetyl)amino]azanide has a molecular weight of 141.07 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(2,2,2-trifluoroacetyl)amino]azanide is sourced from PubChem (CID 163589584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).