azane;tris(2,2,2-trifluoroacetic acid)

C6H9F9N2O6 — CID 175976837

IUPACazane;tris(2,2,2-trifluoroacetic acid)
SMILESN.N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/3C2HF3O2.2H3N/c3*3-2(4,5)1(6)7;;/h3*(H,6,7);2*1H3
InChIKeyDTHANIWQYILYKE-UHFFFAOYSA-N
MW376.13 g/mol
LogP2.22
Rot. Bonds

About azane;tris(2,2,2-trifluoroacetic acid)

azane;tris(2,2,2-trifluoroacetic acid) (PubChem CID 175976837) has the molecular formula C6H9F9N2O6 and a molecular weight of 376.13 g/mol. Its IUPAC name is azane;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Nameazane;tris(2,2,2-trifluoroacetic acid)
PubChem CID175976837
Molecular FormulaC6H9F9N2O6
Molecular Weight376.13 g/mol
Exact Mass376.03
IUPAC Nameazane;tris(2,2,2-trifluoroacetic acid)
SMILESN.N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/3C2HF3O2.2H3N/c3*3-2(4,5)1(6)7;;/h3*(H,6,7);2*1H3
InChIKeyDTHANIWQYILYKE-UHFFFAOYSA-N
XLogP2.22
TPSA181.90 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.13
LogP ≤ 52.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301
azane;formic acid;2,2,2-trifluoroacetic acid
CID 174575097

Frequently Asked Questions

What is the IUPAC name of azane;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of azane;tris(2,2,2-trifluoroacetic acid) (CID 175976837) is azane;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for azane;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for azane;tris(2,2,2-trifluoroacetic acid) is N.N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of azane;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is DTHANIWQYILYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2HF3O2.2H3N/c3*3-2(4,5)1(6)7;;/h3*(H,6,7);2*1H3.
What are the key properties of azane;tris(2,2,2-trifluoroacetic acid)?
azane;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 376.13 g/mol, XLogP of 2.22, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 175976837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).