ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid

C9H18FO4P — CID 88658246

IUPACethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid
SMILESCCCCC(F)C(=O)CP(=O)(O)OCC
InChIInChI=1S/C9H18FO4P/c1-3-5-6-8(10)9(11)7-15(12,13)14-4-2/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyJSOOMYFBGOHXDC-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.31
Rot. Bonds8

About ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid

ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid (PubChem CID 88658246) has the molecular formula C9H18FO4P and a molecular weight of 240.21 g/mol. Its IUPAC name is ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid
PubChem CID88658246
Molecular FormulaC9H18FO4P
Molecular Weight240.21 g/mol
Exact Mass240.09
IUPAC Nameethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid
SMILESCCCCC(F)C(=O)CP(=O)(O)OCC
InChIInChI=1S/C9H18FO4P/c1-3-5-6-8(10)9(11)7-15(12,13)14-4-2/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyJSOOMYFBGOHXDC-UHFFFAOYSA-N
XLogP2.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl (2-oxoheptyl)phosphonate
CID 580181
Diethyl 2-oxoheptyl phosphonate
CID 10857882
Diethyl (2-oxocyclohexyl)phosphonate
CID 11075336
Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate
CID 11118722
2-Diethoxyphosphoryl-2-fluorocyclohexan-1-one
CID 11172787
2-Diethoxyphosphorylhexan-3-one
CID 10933467
2-Diethoxyphosphorylcycloheptan-1-one
CID 11086108
Dimethyl (2-oxohexyl)phosphonate
CID 10889105
Phosphonic acid, (2-oxohexyl)-, diethyl ester
CID 10977428
4-Diethoxyphosphoryloctan-3-one
CID 11108204
Dimethyl (2-oxononyl)phosphonate
CID 13565962
Dimethyl (2-oxodecyl)phosphonate
CID 13939083

Frequently Asked Questions

What is the IUPAC name of ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid?
The IUPAC name of ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid (CID 88658246) is ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid.
What is the SMILES notation for ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid?
The canonical SMILES for ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid is CCCCC(F)C(=O)CP(=O)(O)OCC.
What is the InChIKey of ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid?
The InChIKey is JSOOMYFBGOHXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FO4P/c1-3-5-6-8(10)9(11)7-15(12,13)14-4-2/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid?
ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid has a molecular weight of 240.21 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(3-fluoro-2-oxoheptyl)phosphinic acid is sourced from PubChem (CID 88658246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).