difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate

C4F9O2P — CID 23234687

IUPACdifluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESO=C(OP(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F9O2P/c5-2(6,1(14)15-16(12)13)3(7,8)4(9,10)11
InChIKeyAXGCWEMKEQOFIU-UHFFFAOYSA-N
MW282.00 g/mol
LogP3.53
Rot. Bonds3

About difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate

difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 23234687) has the molecular formula C4F9O2P and a molecular weight of 282.00 g/mol. Its IUPAC name is difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Namedifluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID23234687
Molecular FormulaC4F9O2P
Molecular Weight282.00 g/mol
Exact Mass281.95
IUPAC Namedifluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESO=C(OP(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F9O2P/c5-2(6,1(14)15-16(12)13)3(7,8)4(9,10)11
InChIKeyAXGCWEMKEQOFIU-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.00
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,2,2-trifluoroacetyl) 2,2,3,3,4,4,4-heptafluorobutanoate
CID 156768944
tert-butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 15613838
ethanol;2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 162534330
ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 520749
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononaneperoxoate
CID 15687701
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecan-2-yl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
CID 11115610
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91737730
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid
CID 14492204
2-(2-chloro-2,2-difluoroacetyl)oxyethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91725228
acetic acid;ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 174733583
2,2-bis(2,2,3,3,4,4,4-heptafluorobutanoyloxymethyl)butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91697752
tert-butyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 71673045

Frequently Asked Questions

What is the IUPAC name of difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 23234687) is difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate is O=C(OP(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is AXGCWEMKEQOFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F9O2P/c5-2(6,1(14)15-16(12)13)3(7,8)4(9,10)11.
What are the key properties of difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate?
difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 282.00 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphanyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 23234687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).