2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one

C10H7F4O4P — CID 10924483

IUPAC2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one
SMILESO=C1OP(OCC(F)(F)C(F)F)Oc2ccccc21
InChIInChI=1S/C10H7F4O4P/c11-9(12)10(13,14)5-16-19-17-7-4-2-1-3-6(7)8(15)18-19/h1-4,9H,5H2
InChIKeyGRGDATBSAKJDAN-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.38
Rot. Bonds4

About 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one

2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one (PubChem CID 10924483) has the molecular formula C10H7F4O4P and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one
PubChem CID10924483
Molecular FormulaC10H7F4O4P
Molecular Weight298.13 g/mol
Exact Mass298.00
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one
SMILESO=C1OP(OCC(F)(F)C(F)F)Oc2ccccc21
InChIInChI=1S/C10H7F4O4P/c11-9(12)10(13,14)5-16-19-17-7-4-2-1-3-6(7)8(15)18-19/h1-4,9H,5H2
InChIKeyGRGDATBSAKJDAN-UHFFFAOYSA-N
XLogP3.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one (CID 10924483) is 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one is O=C1OP(OCC(F)(F)C(F)F)Oc2ccccc21.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one?
The InChIKey is GRGDATBSAKJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4O4P/c11-9(12)10(13,14)5-16-19-17-7-4-2-1-3-6(7)8(15)18-19/h1-4,9H,5H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one?
2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one has a molecular weight of 298.13 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-benzodioxaphosphinin-4-one is sourced from PubChem (CID 10924483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).