dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid

C2H18F6NO18P7 — CID 173362900

IUPACdimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid
SMILESCN(C)OP(=O)(O)F.O=P(O)(F)OP.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C2H7FNO3P.FH3O3P2.4FH2O3P/c1-4(2)7-8(3,5)6;1-6(2,3)4-5;4*1-5(2,3)4/h1-2H3,(H,5,6);5H2,(H,2,3);4*(H2,2,3,4)
InChIKeyBVVDZVFNXRTTNJ-UHFFFAOYSA-N
MW674.96 g/mol
LogP1.61
Rot. Bonds3

About dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid

dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid (PubChem CID 173362900) has the molecular formula C2H18F6NO18P7 and a molecular weight of 674.96 g/mol. Its IUPAC name is dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid.

Molecular Properties

Compound Namedimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid
PubChem CID173362900
Molecular FormulaC2H18F6NO18P7
Molecular Weight674.96 g/mol
Exact Mass674.86
IUPAC Namedimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid
SMILESCN(C)OP(=O)(O)F.O=P(O)(F)OP.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C2H7FNO3P.FH3O3P2.4FH2O3P/c1-4(2)7-8(3,5)6;1-6(2,3)4-5;4*1-5(2,3)4/h1-2H3,(H,5,6);5H2,(H,2,3);4*(H2,2,3,4)
InChIKeyBVVDZVFNXRTTNJ-UHFFFAOYSA-N
XLogP1.61
TPSA326.42 Ų
H-Bond Donors10
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.96
LogP ≤ 51.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

dimethylaminooxy(fluoro)phosphinic acid;1,2,3,4,5,6-hexachlorocyclohexane;phosphane
CID 173255105
fluoro(methoxy)phosphinic acid
CID 23235630
CID 174370439
CID 174370439
fluorophosphonic acid;zinc
CID 173113621
fluorophosphonic acid;dihydroiodide
CID 172705626
alumane;fluorophosphonic acid
CID 173163644
copper;fluorophosphonic acid
CID 173104152
alumane;phosphanyl dihydrogen phosphate
CID 173370493
lithium;fluorophosphonic acid;fluoride
CID 158000068
alumane;azane;fluorophosphonic acid
CID 173036000
sodium bis(dimethylamino) phosphate
CID 23665369
N,N-diethylethanamine;fluorophosphonic acid
CID 173141880

Frequently Asked Questions

What is the IUPAC name of dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid?
The IUPAC name of dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid (CID 173362900) is dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid.
What is the SMILES notation for dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid?
The canonical SMILES for dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid is CN(C)OP(=O)(O)F.O=P(O)(F)OP.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.
What is the InChIKey of dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid?
The InChIKey is BVVDZVFNXRTTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7FNO3P.FH3O3P2.4FH2O3P/c1-4(2)7-8(3,5)6;1-6(2,3)4-5;4*1-5(2,3)4/h1-2H3,(H,5,6);5H2,(H,2,3);4*(H2,2,3,4).
What are the key properties of dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid?
dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid has a molecular weight of 674.96 g/mol, XLogP of 1.61, 3 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminooxy(fluoro)phosphinic acid;fluoro(phosphanyloxy)phosphinic acid;fluorophosphonic acid is sourced from PubChem (CID 173362900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).