CID 86295812

C4H3F2N4OP — CID 86295812

IUPAC—
SMILESN#C[P-](F)(F)(C#N)(C#N)C#N.[OH3+]
InChIInChI=1S/C4F2N4P.H2O/c5-11(6,1-7,2-8,3-9)4-10;/h;1H2/q-1;/p+1
InChIKeyJPBNNSQTOFLZDF-UHFFFAOYSA-O
MW192.06 g/mol
LogP0.85
Rot. Bonds

About CID 86295812

CID 86295812 (PubChem CID 86295812) has the molecular formula C4H3F2N4OP and a molecular weight of 192.06 g/mol.

Molecular Properties

Compound NameCID 86295812
PubChem CID86295812
Molecular FormulaC4H3F2N4OP
Molecular Weight192.06 g/mol
Exact Mass192.00
IUPAC Name—
SMILESN#C[P-](F)(F)(C#N)(C#N)C#N.[OH3+]
InChIInChI=1S/C4F2N4P.H2O/c5-11(6,1-7,2-8,3-9)4-10;/h;1H2/q-1;/p+1
InChIKeyJPBNNSQTOFLZDF-UHFFFAOYSA-O
XLogP0.85
TPSA128.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 23417369
CID 23417369
acetonitrile;hydron;hexafluorophosphate
CID 162334933
bis(acetonitrile);bis(palladium);bis(1H-pyrrole);dihexafluorophosphate
CID 139183199
fluoromethanetricarbonitrile
CID 71372556
azane;carbononitridic fluoride
CID 174528672
CID 23417379
CID 23417379
scandium;hexahydrate
CID 159475498
CID 14173064
CID 14173064
CID 14173053
CID 14173053
aluminum trihexafluorophosphate
CID 160777052
antimony(3+) trihexafluorophosphate
CID 57364004
ruthenium(2+) dihexafluorophosphate
CID 22052995

Frequently Asked Questions

What is the IUPAC name of CID 86295812?
The IUPAC name of CID 86295812 (CID 86295812) is not available.
What is the SMILES notation for CID 86295812?
The canonical SMILES for CID 86295812 is N#C[P-](F)(F)(C#N)(C#N)C#N.[OH3+].
What is the InChIKey of CID 86295812?
The InChIKey is JPBNNSQTOFLZDF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4F2N4P.H2O/c5-11(6,1-7,2-8,3-9)4-10;/h;1H2/q-1;/p+1.
What are the key properties of CID 86295812?
CID 86295812 has a molecular weight of 192.06 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86295812 is sourced from PubChem (CID 86295812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).