(1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid

C7H7FO3 — CID 130756032

IUPAC(1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C1CC[C@@H]2[C@H]1[C@]2(F)C(=O)O
InChIInChI=1S/C7H7FO3/c8-7(6(10)11)3-1-2-4(9)5(3)7/h3,5H,1-2H2,(H,10,11)/t3-,5-,7+/m1/s1
InChIKeyDONRFEOAFXSQFL-JNKKYWAOSA-N
MW158.13 g/mol
LogP0.39
Rot. Bonds1

About (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid

(1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 130756032) has the molecular formula C7H7FO3 and a molecular weight of 158.13 g/mol. Its IUPAC name is (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name(1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID130756032
Molecular FormulaC7H7FO3
Molecular Weight158.13 g/mol
Exact Mass158.04
IUPAC Name(1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C1CC[C@@H]2[C@H]1[C@]2(F)C(=O)O
InChIInChI=1S/C7H7FO3/c8-7(6(10)11)3-1-2-4(9)5(3)7/h3,5H,1-2H2,(H,10,11)/t3-,5-,7+/m1/s1
InChIKeyDONRFEOAFXSQFL-JNKKYWAOSA-N
XLogP0.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid (CID 130756032) is (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid is O=C1CC[C@@H]2[C@H]1[C@]2(F)C(=O)O.
What is the InChIKey of (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is DONRFEOAFXSQFL-JNKKYWAOSA-N. The full InChI is InChI=1S/C7H7FO3/c8-7(6(10)11)3-1-2-4(9)5(3)7/h3,5H,1-2H2,(H,10,11)/t3-,5-,7+/m1/s1.
What are the key properties of (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid?
(1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 158.13 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 130756032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).