azane;formic acid;2,2,2-trifluoroacetic acid

C3H6F3NO4 — CID 174575097

IUPACazane;formic acid;2,2,2-trifluoroacetic acid
SMILESN.O=C(O)C(F)(F)F.O=CO
InChIInChI=1S/C2HF3O2.CH2O2.H3N/c3-2(4,5)1(6)7;2-1-3;/h(H,6,7);1H,(H,2,3);1H3
InChIKeyKCJCWECQWKEOSI-UHFFFAOYSA-N
MW177.08 g/mol
LogP0.50
Rot. Bonds

About azane;formic acid;2,2,2-trifluoroacetic acid

azane;formic acid;2,2,2-trifluoroacetic acid (PubChem CID 174575097) has the molecular formula C3H6F3NO4 and a molecular weight of 177.08 g/mol. Its IUPAC name is azane;formic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameazane;formic acid;2,2,2-trifluoroacetic acid
PubChem CID174575097
Molecular FormulaC3H6F3NO4
Molecular Weight177.08 g/mol
Exact Mass177.02
IUPAC Nameazane;formic acid;2,2,2-trifluoroacetic acid
SMILESN.O=C(O)C(F)(F)F.O=CO
InChIInChI=1S/C2HF3O2.CH2O2.H3N/c3-2(4,5)1(6)7;2-1-3;/h(H,6,7);1H,(H,2,3);1H3
InChIKeyKCJCWECQWKEOSI-UHFFFAOYSA-N
XLogP0.50
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;formic acid;2,2,2-trifluoroacetic acid
CID 162535427
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
CID 159010746
CID 159010746
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506

Frequently Asked Questions

What is the IUPAC name of azane;formic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of azane;formic acid;2,2,2-trifluoroacetic acid (CID 174575097) is azane;formic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for azane;formic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for azane;formic acid;2,2,2-trifluoroacetic acid is N.O=C(O)C(F)(F)F.O=CO.
What is the InChIKey of azane;formic acid;2,2,2-trifluoroacetic acid?
The InChIKey is KCJCWECQWKEOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.CH2O2.H3N/c3-2(4,5)1(6)7;2-1-3;/h(H,6,7);1H,(H,2,3);1H3.
What are the key properties of azane;formic acid;2,2,2-trifluoroacetic acid?
azane;formic acid;2,2,2-trifluoroacetic acid has a molecular weight of 177.08 g/mol, XLogP of 0.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;formic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174575097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).