CID 23417369

C2Cl3FN2P- — CID 23417369

IUPAC—
SMILESN#C[P-](F)(Cl)(Cl)(Cl)C#N
InChIInChI=1S/C2Cl3FN2P/c3-9(4,5,6,1-7)2-8/q-1
InChIKeyRQPDQIIFINTQEX-UHFFFAOYSA-N
MW208.37 g/mol
LogP3.38
Rot. Bonds

About CID 23417369

CID 23417369 (PubChem CID 23417369) has the molecular formula C2Cl3FN2P- and a molecular weight of 208.37 g/mol.

Molecular Properties

Compound NameCID 23417369
PubChem CID23417369
Molecular FormulaC2Cl3FN2P-
Molecular Weight208.37 g/mol
Exact Mass206.89
IUPAC Name—
SMILESN#C[P-](F)(Cl)(Cl)(Cl)C#N
InChIInChI=1S/C2Cl3FN2P/c3-9(4,5,6,1-7)2-8/q-1
InChIKeyRQPDQIIFINTQEX-UHFFFAOYSA-N
XLogP3.38
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 14173064
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CID 168867713
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Frequently Asked Questions

What is the IUPAC name of CID 23417369?
The IUPAC name of CID 23417369 (CID 23417369) is not available.
What is the SMILES notation for CID 23417369?
The canonical SMILES for CID 23417369 is N#C[P-](F)(Cl)(Cl)(Cl)C#N.
What is the InChIKey of CID 23417369?
The InChIKey is RQPDQIIFINTQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl3FN2P/c3-9(4,5,6,1-7)2-8/q-1.
What are the key properties of CID 23417369?
CID 23417369 has a molecular weight of 208.37 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23417369 is sourced from PubChem (CID 23417369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).