fluorophosphonic acid;methylurea

C24H84F6N24O30P6 — CID 173044631

IUPACfluorophosphonic acid;methylurea
SMILESCNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/12C2H6N2O.6FH2O3P/c12*1-4-2(3)5;6*1-5(2,3)4/h12*1H3,(H3,3,4,5);6*(H2,2,3,4)
InChIKeyYXJLHRJLCPTXRX-UHFFFAOYSA-N
MW1488.91 g/mol
LogP-8.29
Rot. Bonds

About fluorophosphonic acid;methylurea

fluorophosphonic acid;methylurea (PubChem CID 173044631) has the molecular formula C24H84F6N24O30P6 and a molecular weight of 1488.91 g/mol. Its IUPAC name is fluorophosphonic acid;methylurea.

Molecular Properties

Compound Namefluorophosphonic acid;methylurea
PubChem CID173044631
Molecular FormulaC24H84F6N24O30P6
Molecular Weight1488.91 g/mol
Exact Mass1488.41
IUPAC Namefluorophosphonic acid;methylurea
SMILESCNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/12C2H6N2O.6FH2O3P/c12*1-4-2(3)5;6*1-5(2,3)4/h12*1H3,(H3,3,4,5);6*(H2,2,3,4)
InChIKeyYXJLHRJLCPTXRX-UHFFFAOYSA-N
XLogP-8.29
TPSA1006.62 Ų
H-Bond Donors36
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.91
LogP ≤ 5-8.29
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

methylurea;ruthenium
CID 159209634
hydrazine;methylurea
CID 158581810
methylurea;hydrate
CID 141425619
methylurea;hydrate;hydrochloride
CID 172734420
CID 174370439
CID 174370439
N-methylacetamide;phosphoric acid
CID 174660683
sodium;methylurea;nitrite
CID 23667525
acetyl acetate;methylurea
CID 157181013
copper;fluorophosphonic acid
CID 173104152
fluorophosphonic acid;zinc
CID 173113621
fluorophosphonic acid;dihydroiodide
CID 172705626
alumane;fluorophosphonic acid
CID 173163644

Frequently Asked Questions

What is the IUPAC name of fluorophosphonic acid;methylurea?
The IUPAC name of fluorophosphonic acid;methylurea (CID 173044631) is fluorophosphonic acid;methylurea.
What is the SMILES notation for fluorophosphonic acid;methylurea?
The canonical SMILES for fluorophosphonic acid;methylurea is CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.CNC(N)=O.O=P(O)(O)F.O=P(O)(O)F.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 fluorophosphonic acid;methylurea?
The InChIKey is YXJLHRJLCPTXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/12C2H6N2O.6FH2O3P/c12*1-4-2(3)5;6*1-5(2,3)4/h12*1H3,(H3,3,4,5);6*(H2,2,3,4).
What are the key properties of fluorophosphonic acid;methylurea?
fluorophosphonic acid;methylurea has a molecular weight of 1488.91 g/mol, XLogP of -8.29, 0 rotatable bonds, 36 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for fluorophosphonic acid;methylurea is sourced from PubChem (CID 173044631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).