ethylazanide;2,2,2-trifluoroacetic acid

C4H7F3NO2- — CID 158033320

IUPACethylazanide;2,2,2-trifluoroacetic acid
SMILESCC[NH-].O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H6N/c3-2(4,5)1(6)7;1-2-3/h(H,6,7);3H,2H2,1H3/q;-1
InChIKeyFHLDONBFYFASFP-UHFFFAOYSA-N
MW158.10 g/mol
LogP1.69
Rot. Bonds

About ethylazanide;2,2,2-trifluoroacetic acid

ethylazanide;2,2,2-trifluoroacetic acid (PubChem CID 158033320) has the molecular formula C4H7F3NO2- and a molecular weight of 158.10 g/mol. Its IUPAC name is ethylazanide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethylazanide;2,2,2-trifluoroacetic acid
PubChem CID158033320
Molecular FormulaC4H7F3NO2-
Molecular Weight158.10 g/mol
Exact Mass158.04
IUPAC Nameethylazanide;2,2,2-trifluoroacetic acid
SMILESCC[NH-].O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H6N/c3-2(4,5)1(6)7;1-2-3/h(H,6,7);3H,2H2,1H3/q;-1
InChIKeyFHLDONBFYFASFP-UHFFFAOYSA-N
XLogP1.69
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.10
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethanol;2,2,2-trifluoroacetic acid;hydrate
CID 18377865
pentane;2,2,2-trifluoroacetic acid
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N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002

Frequently Asked Questions

What is the IUPAC name of ethylazanide;2,2,2-trifluoroacetic acid?
The IUPAC name of ethylazanide;2,2,2-trifluoroacetic acid (CID 158033320) is ethylazanide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethylazanide;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethylazanide;2,2,2-trifluoroacetic acid is CC[NH-].O=C(O)C(F)(F)F.
What is the InChIKey of ethylazanide;2,2,2-trifluoroacetic acid?
The InChIKey is FHLDONBFYFASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H6N/c3-2(4,5)1(6)7;1-2-3/h(H,6,7);3H,2H2,1H3/q;-1.
What are the key properties of ethylazanide;2,2,2-trifluoroacetic acid?
ethylazanide;2,2,2-trifluoroacetic acid has a molecular weight of 158.10 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158033320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).