butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine

C16H46F3N3O3P2 — CID 159327936

IUPACbutane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine
SMILESCCCC.CCCC.CCCC.CCCC.NN.O=P(O)(F)NP(=O)(F)F
InChIInChI=1S/4C4H10.F3H2NO3P2.H4N2/c4*1-3-4-2;1-8(2,5)4-9(3,6)7;1-2/h4*3-4H2,1-2H3;(H2,4,5,6,7);1-2H2
InChIKeyLEPKPSAXKKQXDT-UHFFFAOYSA-N
MW447.50 g/mol
LogP7.74
Rot. Bonds6

About butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine

butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine (PubChem CID 159327936) has the molecular formula C16H46F3N3O3P2 and a molecular weight of 447.50 g/mol. Its IUPAC name is butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine.

Molecular Properties

Compound Namebutane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine
PubChem CID159327936
Molecular FormulaC16H46F3N3O3P2
Molecular Weight447.50 g/mol
Exact Mass447.30
IUPAC Namebutane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine
SMILESCCCC.CCCC.CCCC.CCCC.NN.O=P(O)(F)NP(=O)(F)F
InChIInChI=1S/4C4H10.F3H2NO3P2.H4N2/c4*1-3-4-2;1-8(2,5)4-9(3,6)7;1-2/h4*3-4H2,1-2H3;(H2,4,5,6,7);1-2H2
InChIKeyLEPKPSAXKKQXDT-UHFFFAOYSA-N
XLogP7.74
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 57.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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amino(ethylamino)phosphinic acid;hexane
CID 87856928
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
propylphosphonamidic acid
CID 22250964
N,N-diethylethanamine;fluorophosphonic acid
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butane;phosphoric acid;prop-2-enamide
CID 159316874
N,N-dibutylbutan-1-amine;difluorophosphinic acid
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CID 161056989

Frequently Asked Questions

What is the IUPAC name of butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine?
The IUPAC name of butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine (CID 159327936) is butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine.
What is the SMILES notation for butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine?
The canonical SMILES for butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine is CCCC.CCCC.CCCC.CCCC.NN.O=P(O)(F)NP(=O)(F)F.
What is the InChIKey of butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine?
The InChIKey is LEPKPSAXKKQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H10.F3H2NO3P2.H4N2/c4*1-3-4-2;1-8(2,5)4-9(3,6)7;1-2/h4*3-4H2,1-2H3;(H2,4,5,6,7);1-2H2.
What are the key properties of butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine?
butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine has a molecular weight of 447.50 g/mol, XLogP of 7.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-difluorophosphoryl-fluorophosphonamidic acid;hydrazine is sourced from PubChem (CID 159327936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).