[(2S,3R)-2,3-difluorohexoxy]benzene

C₁₂H₁₆F₂O — CID 97103069

About [(2S,3R)-2,3-difluorohexoxy]benzene

[(2S,3R)-2,3-difluorohexoxy]benzene (PubChem CID 97103069) has the molecular formula C₁₂H₁₆F₂O and a molecular weight of 214.26 g/mol. Its IUPAC name is [(2S,3R)-2,3-difluorohexoxy]benzene.

Molecular Properties

• Compound Name: [(2S,3R)-2,3-difluorohexoxy]benzene
• PubChem CID: 97103069
• Molecular Formula: C₁₂H₁₆F₂O
• Molecular Weight: 214.26 g/mol
• Exact Mass: 214.12
• IUPAC Name: [(2S,3R)-2,3-difluorohexoxy]benzene
• SMILES: CCC[C@@H](F)[C@@H](F)COc1ccccc1
• InChI: InChI=1S/C12H16F2O/c1-2-6-11(13)12(14)9-15-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3/t11-,12+/m1/s1
• InChIKey: GQKYDDAXMLJMNB-NEPJUHHUSA-N
• XLogP: 3.54
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.26
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2,3-difluorohexoxy]benzene?

The IUPAC name of [(2S,3R)-2,3-difluorohexoxy]benzene (CID 97103069) is [(2S,3R)-2,3-difluorohexoxy]benzene.

What is the SMILES notation for [(2S,3R)-2,3-difluorohexoxy]benzene?

The canonical SMILES for [(2S,3R)-2,3-difluorohexoxy]benzene is CCC[C@@H](F)[C@@H](F)COc1ccccc1.

What is the InChIKey of [(2S,3R)-2,3-difluorohexoxy]benzene?

The InChIKey is GQKYDDAXMLJMNB-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H16F2O/c1-2-6-11(13)12(14)9-15-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3/t11-,12+/m1/s1.

What are the key properties of [(2S,3R)-2,3-difluorohexoxy]benzene?

[(2S,3R)-2,3-difluorohexoxy]benzene has a molecular weight of 214.26 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-2,3-difluorohexoxy]benzene is sourced from PubChem (CID 97103069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 97103069 — identifiers, structure, computed properties (public domain)

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