benzene;fluoroform;isocyanic acid;oxophosphanium

C9H11F3N2O3P+ — CID 173453791

IUPACbenzene;fluoroform;isocyanic acid;oxophosphanium
SMILESFC(F)F.N=C=O.N=C=O.O=[PH2+].c1ccccc1
InChIInChI=1S/C6H6.CHF3.2CHNO.H2OP/c1-2-4-6-5-3-1;2-1(3)4;2*2-1-3;1-2/h1-6H;1H;2*2H;2H2/q;;;;+1
InChIKeyDDFNQPLSVJJOHT-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.87
Rot. Bonds

About benzene;fluoroform;isocyanic acid;oxophosphanium

benzene;fluoroform;isocyanic acid;oxophosphanium (PubChem CID 173453791) has the molecular formula C9H11F3N2O3P+ and a molecular weight of 283.17 g/mol. Its IUPAC name is benzene;fluoroform;isocyanic acid;oxophosphanium.

Molecular Properties

Compound Namebenzene;fluoroform;isocyanic acid;oxophosphanium
PubChem CID173453791
Molecular FormulaC9H11F3N2O3P+
Molecular Weight283.17 g/mol
Exact Mass283.05
IUPAC Namebenzene;fluoroform;isocyanic acid;oxophosphanium
SMILESFC(F)F.N=C=O.N=C=O.O=[PH2+].c1ccccc1
InChIInChI=1S/C6H6.CHF3.2CHNO.H2OP/c1-2-4-6-5-3-1;2-1(3)4;2*2-1-3;1-2/h1-6H;1H;2*2H;2H2/q;;;;+1
InChIKeyDDFNQPLSVJJOHT-UHFFFAOYSA-N
XLogP2.87
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;fluoroform;isocyanic acid;oxophosphanium?
The IUPAC name of benzene;fluoroform;isocyanic acid;oxophosphanium (CID 173453791) is benzene;fluoroform;isocyanic acid;oxophosphanium.
What is the SMILES notation for benzene;fluoroform;isocyanic acid;oxophosphanium?
The canonical SMILES for benzene;fluoroform;isocyanic acid;oxophosphanium is FC(F)F.N=C=O.N=C=O.O=[PH2+].c1ccccc1.
What is the InChIKey of benzene;fluoroform;isocyanic acid;oxophosphanium?
The InChIKey is DDFNQPLSVJJOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CHF3.2CHNO.H2OP/c1-2-4-6-5-3-1;2-1(3)4;2*2-1-3;1-2/h1-6H;1H;2*2H;2H2/q;;;;+1.
What are the key properties of benzene;fluoroform;isocyanic acid;oxophosphanium?
benzene;fluoroform;isocyanic acid;oxophosphanium has a molecular weight of 283.17 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;fluoroform;isocyanic acid;oxophosphanium is sourced from PubChem (CID 173453791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).