CID 2784556

C15H16F3N2P — CID 2784556

IUPAC—
SMILESCN1C(c2ccccc2)=[N+](C)[P-]1(F)(F)(F)c1ccccc1
InChIInChI=1S/C15H16F3N2P/c1-19-15(13-9-5-3-6-10-13)20(2)21(19,16,17,18)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyUXIHLLRHLKIGHP-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.92
Rot. Bonds2

About CID 2784556

CID 2784556 (PubChem CID 2784556) has the molecular formula C15H16F3N2P and a molecular weight of 312.28 g/mol.

Molecular Properties

Compound NameCID 2784556
PubChem CID2784556
Molecular FormulaC15H16F3N2P
Molecular Weight312.28 g/mol
Exact Mass312.10
IUPAC Name—
SMILESCN1C(c2ccccc2)=[N+](C)[P-]1(F)(F)(F)c1ccccc1
InChIInChI=1S/C15H16F3N2P/c1-19-15(13-9-5-3-6-10-13)20(2)21(19,16,17,18)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyUXIHLLRHLKIGHP-UHFFFAOYSA-N
XLogP3.92
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 2784556?
The IUPAC name of CID 2784556 (CID 2784556) is not available.
What is the SMILES notation for CID 2784556?
The canonical SMILES for CID 2784556 is CN1C(c2ccccc2)=[N+](C)[P-]1(F)(F)(F)c1ccccc1.
What is the InChIKey of CID 2784556?
The InChIKey is UXIHLLRHLKIGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N2P/c1-19-15(13-9-5-3-6-10-13)20(2)21(19,16,17,18)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of CID 2784556?
CID 2784556 has a molecular weight of 312.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 2784556 is sourced from PubChem (CID 2784556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).