difluoromethyl(phosphono)azanide

CH3F2NO3P- — CID 149253138

IUPACdifluoromethyl(phosphono)azanide
SMILESO=P(O)(O)[N-]C(F)F
InChIInChI=1S/CH3F2NO3P/c2-1(3)4-8(5,6)7/h1H,(H2-,4,5,6,7)/q-1
InChIKeyYXXMBEZQEYDWOM-UHFFFAOYSA-N
MW146.01 g/mol
LogP0.68
Rot. Bonds2

About difluoromethyl(phosphono)azanide

difluoromethyl(phosphono)azanide (PubChem CID 149253138) has the molecular formula CH3F2NO3P- and a molecular weight of 146.01 g/mol. Its IUPAC name is difluoromethyl(phosphono)azanide.

Molecular Properties

Compound Namedifluoromethyl(phosphono)azanide
PubChem CID149253138
Molecular FormulaCH3F2NO3P-
Molecular Weight146.01 g/mol
Exact Mass145.98
IUPAC Namedifluoromethyl(phosphono)azanide
SMILESO=P(O)(O)[N-]C(F)F
InChIInChI=1S/CH3F2NO3P/c2-1(3)4-8(5,6)7/h1H,(H2-,4,5,6,7)/q-1
InChIKeyYXXMBEZQEYDWOM-UHFFFAOYSA-N
XLogP0.68
TPSA71.63 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.01
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze difluoromethyl(phosphono)azanide with MolForge

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

Launch Full Analysis

Related Compounds

phosphoric acid;tetrafluorophosphanium
CID 175988540
bis(difluoromethyl)phosphoryl-difluoromethane
CID 23415890
difluoromethylsulfanylphosphonic acid
CID 91266269
copper;fluorophosphonic acid
CID 173104152
calcium;barium(2+);hydride;phosphoric acid
CID 173359934
bis(difluorophosphinic acid);hydrate
CID 56776517
fluorophosphonic acid;zinc
CID 173113621
fluorophosphonic acid;dihydroiodide
CID 172705626
alumane;fluorophosphonic acid
CID 173163644
barium(2+);hydride;phosphoric acid;selane
CID 174677056
dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane
CID 174718444
(2-chloro-1-fluoro-2-oxoethyl)phosphonic acid
CID 90282589

Frequently Asked Questions

What is the IUPAC name of difluoromethyl(phosphono)azanide?
The IUPAC name of difluoromethyl(phosphono)azanide (CID 149253138) is difluoromethyl(phosphono)azanide.
What is the SMILES notation for difluoromethyl(phosphono)azanide?
The canonical SMILES for difluoromethyl(phosphono)azanide is O=P(O)(O)[N-]C(F)F.
What is the InChIKey of difluoromethyl(phosphono)azanide?
The InChIKey is YXXMBEZQEYDWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3F2NO3P/c2-1(3)4-8(5,6)7/h1H,(H2-,4,5,6,7)/q-1.
What are the key properties of difluoromethyl(phosphono)azanide?
difluoromethyl(phosphono)azanide has a molecular weight of 146.01 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl(phosphono)azanide is sourced from PubChem (CID 149253138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).