(6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde

C7H7FO2 — CID 88950630

IUPAC(6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde
SMILESO=C[C@@]1(F)C2CCC(=O)C21
InChIInChI=1S/C7H7FO2/c8-7(3-9)4-1-2-5(10)6(4)7/h3-4,6H,1-2H2/t4?,6?,7-/m1/s1
InChIKeyOJYDOLIOYBSHHA-WXRDLOJGSA-N
MW142.13 g/mol
LogP0.50
Rot. Bonds1

About (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde

(6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde (PubChem CID 88950630) has the molecular formula C7H7FO2 and a molecular weight of 142.13 g/mol. Its IUPAC name is (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde.

Molecular Properties

Compound Name(6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde
PubChem CID88950630
Molecular FormulaC7H7FO2
Molecular Weight142.13 g/mol
Exact Mass142.04
IUPAC Name(6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde
SMILESO=C[C@@]1(F)C2CCC(=O)C21
InChIInChI=1S/C7H7FO2/c8-7(3-9)4-1-2-5(10)6(4)7/h3-4,6H,1-2H2/t4?,6?,7-/m1/s1
InChIKeyOJYDOLIOYBSHHA-WXRDLOJGSA-N
XLogP0.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde?
The IUPAC name of (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde (CID 88950630) is (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde.
What is the SMILES notation for (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde?
The canonical SMILES for (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde is O=C[C@@]1(F)C2CCC(=O)C21.
What is the InChIKey of (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde?
The InChIKey is OJYDOLIOYBSHHA-WXRDLOJGSA-N. The full InChI is InChI=1S/C7H7FO2/c8-7(3-9)4-1-2-5(10)6(4)7/h3-4,6H,1-2H2/t4?,6?,7-/m1/s1.
What are the key properties of (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde?
(6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde has a molecular weight of 142.13 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-fluoro-2-oxobicyclo[3.1.0]hexane-6-carbaldehyde is sourced from PubChem (CID 88950630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).