(1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid

C8H11FO4 — CID 67024366

IUPAC(1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
SMILESC[C@]12[C@H](O)C[C@H](O)[C@H]1[C@]2(F)C(=O)O
InChIInChI=1S/C8H11FO4/c1-7-4(11)2-3(10)5(7)8(7,9)6(12)13/h3-5,10-11H,2H2,1H3,(H,12,13)/t3-,4+,5+,7-,8-/m0/s1
InChIKeyPZSZCOYILMXQNP-LRNKIAOKSA-N
MW190.17 g/mol
LogP-0.46
Rot. Bonds1

About (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid

(1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 67024366) has the molecular formula C8H11FO4 and a molecular weight of 190.17 g/mol. Its IUPAC name is (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID67024366
Molecular FormulaC8H11FO4
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name(1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid
SMILESC[C@]12[C@H](O)C[C@H](O)[C@H]1[C@]2(F)C(=O)O
InChIInChI=1S/C8H11FO4/c1-7-4(11)2-3(10)5(7)8(7,9)6(12)13/h3-5,10-11H,2H2,1H3,(H,12,13)/t3-,4+,5+,7-,8-/m0/s1
InChIKeyPZSZCOYILMXQNP-LRNKIAOKSA-N
XLogP-0.46
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid (CID 67024366) is (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid is C[C@]12[C@H](O)C[C@H](O)[C@H]1[C@]2(F)C(=O)O.
What is the InChIKey of (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is PZSZCOYILMXQNP-LRNKIAOKSA-N. The full InChI is InChI=1S/C8H11FO4/c1-7-4(11)2-3(10)5(7)8(7,9)6(12)13/h3-5,10-11H,2H2,1H3,(H,12,13)/t3-,4+,5+,7-,8-/m0/s1.
What are the key properties of (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid?
(1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 190.17 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S,6R)-6-fluoro-2,4-dihydroxy-1-methylbicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 67024366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).