difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium

C4HF9NO+ — CID 173308853

IUPACdifluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium
SMILESO=C([NH+](F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F9NO/c5-2(6,1(15)14(12)13)3(7,8)4(9,10)11/p+1
InChIKeyPDPZTYMYBDHOSK-UHFFFAOYSA-O
MW250.04 g/mol
LogP1.00
Rot. Bonds2

About difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium

difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium (PubChem CID 173308853) has the molecular formula C4HF9NO+ and a molecular weight of 250.04 g/mol. Its IUPAC name is difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium.

Molecular Properties

Compound Namedifluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium
PubChem CID173308853
Molecular FormulaC4HF9NO+
Molecular Weight250.04 g/mol
Exact Mass249.99
IUPAC Namedifluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium
SMILESO=C([NH+](F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F9NO/c5-2(6,1(15)14(12)13)3(7,8)4(9,10)11/p+1
InChIKeyPDPZTYMYBDHOSK-UHFFFAOYSA-O
XLogP1.00
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium?
The IUPAC name of difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium (CID 173308853) is difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium.
What is the SMILES notation for difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium?
The canonical SMILES for difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium is O=C([NH+](F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium?
The InChIKey is PDPZTYMYBDHOSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C4F9NO/c5-2(6,1(15)14(12)13)3(7,8)4(9,10)11/p+1.
What are the key properties of difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium?
difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium has a molecular weight of 250.04 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(2,2,3,3,4,4,4-heptafluorobutanoyl)azanium is sourced from PubChem (CID 173308853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).