2,8-difluoro-10-oxophenoxaphosphinin-10-amine

C12H8F2NO2P — CID 130199039

IUPAC2,8-difluoro-10-oxophenoxaphosphinin-10-amine
SMILESNP1(=O)c2cc(F)ccc2Oc2ccc(F)cc21
InChIInChI=1S/C12H8F2NO2P/c13-7-1-3-9-11(5-7)18(15,16)12-6-8(14)2-4-10(12)17-9/h1-6H,(H2,15,16)
InChIKeyYMOYRZCFFILEII-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.26
Rot. Bonds

About 2,8-difluoro-10-oxophenoxaphosphinin-10-amine

2,8-difluoro-10-oxophenoxaphosphinin-10-amine (PubChem CID 130199039) has the molecular formula C12H8F2NO2P and a molecular weight of 267.17 g/mol. Its IUPAC name is 2,8-difluoro-10-oxophenoxaphosphinin-10-amine.

Molecular Properties

Compound Name2,8-difluoro-10-oxophenoxaphosphinin-10-amine
PubChem CID130199039
Molecular FormulaC12H8F2NO2P
Molecular Weight267.17 g/mol
Exact Mass267.03
IUPAC Name2,8-difluoro-10-oxophenoxaphosphinin-10-amine
SMILESNP1(=O)c2cc(F)ccc2Oc2ccc(F)cc21
InChIInChI=1S/C12H8F2NO2P/c13-7-1-3-9-11(5-7)18(15,16)12-6-8(14)2-4-10(12)17-9/h1-6H,(H2,15,16)
InChIKeyYMOYRZCFFILEII-UHFFFAOYSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,8-difluoro-10-oxophenoxaphosphinin-10-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,8-difluoro-10-oxophenoxaphosphinin-10-amine?
The IUPAC name of 2,8-difluoro-10-oxophenoxaphosphinin-10-amine (CID 130199039) is 2,8-difluoro-10-oxophenoxaphosphinin-10-amine.
What is the SMILES notation for 2,8-difluoro-10-oxophenoxaphosphinin-10-amine?
The canonical SMILES for 2,8-difluoro-10-oxophenoxaphosphinin-10-amine is NP1(=O)c2cc(F)ccc2Oc2ccc(F)cc21.
What is the InChIKey of 2,8-difluoro-10-oxophenoxaphosphinin-10-amine?
The InChIKey is YMOYRZCFFILEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2NO2P/c13-7-1-3-9-11(5-7)18(15,16)12-6-8(14)2-4-10(12)17-9/h1-6H,(H2,15,16).
What are the key properties of 2,8-difluoro-10-oxophenoxaphosphinin-10-amine?
2,8-difluoro-10-oxophenoxaphosphinin-10-amine has a molecular weight of 267.17 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-difluoro-10-oxophenoxaphosphinin-10-amine is sourced from PubChem (CID 130199039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).