5-fluorooxy-5-oxopentanoic acid

C5H7FO4 — CID 18466437

IUPAC5-fluorooxy-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)OF
InChIInChI=1S/C5H7FO4/c6-10-5(9)3-1-2-4(7)8/h1-3H2,(H,7,8)
InChIKeyOUUIFHAOSORPGX-UHFFFAOYSA-N
MW150.10 g/mol
LogP0.67
Rot. Bonds4

About 5-fluorooxy-5-oxopentanoic acid

5-fluorooxy-5-oxopentanoic acid (PubChem CID 18466437) has the molecular formula C5H7FO4 and a molecular weight of 150.10 g/mol. Its IUPAC name is 5-fluorooxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-fluorooxy-5-oxopentanoic acid
PubChem CID18466437
Molecular FormulaC5H7FO4
Molecular Weight150.10 g/mol
Exact Mass150.03
IUPAC Name5-fluorooxy-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)OF
InChIInChI=1S/C5H7FO4/c6-10-5(9)3-1-2-4(7)8/h1-3H2,(H,7,8)
InChIKeyOUUIFHAOSORPGX-UHFFFAOYSA-N
XLogP0.67
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

erbium;pentanedioic acid
CID 87931794
azane;bis(pentanedioic acid)
CID 138524332
CID 87067075
CID 87067075
pentanedioic acid;stibane
CID 173344083
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156
fluoro pentanoate;hydrochloride
CID 140774390
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
CID 175284815
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135

Frequently Asked Questions

What is the IUPAC name of 5-fluorooxy-5-oxopentanoic acid?
The IUPAC name of 5-fluorooxy-5-oxopentanoic acid (CID 18466437) is 5-fluorooxy-5-oxopentanoic acid.
What is the SMILES notation for 5-fluorooxy-5-oxopentanoic acid?
The canonical SMILES for 5-fluorooxy-5-oxopentanoic acid is O=C(O)CCCC(=O)OF.
What is the InChIKey of 5-fluorooxy-5-oxopentanoic acid?
The InChIKey is OUUIFHAOSORPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO4/c6-10-5(9)3-1-2-4(7)8/h1-3H2,(H,7,8).
What are the key properties of 5-fluorooxy-5-oxopentanoic acid?
5-fluorooxy-5-oxopentanoic acid has a molecular weight of 150.10 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorooxy-5-oxopentanoic acid is sourced from PubChem (CID 18466437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).