6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid

C7H7FO4 — CID 18330845

IUPAC6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C1CC(O)C2C1C2(F)C(=O)O
InChIInChI=1S/C7H7FO4/c8-7(6(11)12)4-2(9)1-3(10)5(4)7/h2,4-5,9H,1H2,(H,11,12)
InChIKeySXFAEXASHGXWID-UHFFFAOYSA-N
MW174.13 g/mol
LogP-0.64
Rot. Bonds1

About 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid

6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 18330845) has the molecular formula C7H7FO4 and a molecular weight of 174.13 g/mol. Its IUPAC name is 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID18330845
Molecular FormulaC7H7FO4
Molecular Weight174.13 g/mol
Exact Mass174.03
IUPAC Name6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C1CC(O)C2C1C2(F)C(=O)O
InChIInChI=1S/C7H7FO4/c8-7(6(11)12)4-2(9)1-3(10)5(4)7/h2,4-5,9H,1H2,(H,11,12)
InChIKeySXFAEXASHGXWID-UHFFFAOYSA-N
XLogP-0.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid (CID 18330845) is 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid is O=C1CC(O)C2C1C2(F)C(=O)O.
What is the InChIKey of 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is SXFAEXASHGXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4/c8-7(6(11)12)4-2(9)1-3(10)5(4)7/h2,4-5,9H,1H2,(H,11,12).
What are the key properties of 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 174.13 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 18330845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).