2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol

C17H19F2NO3 — CID 25019391

IUPAC2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol
SMILESOC(O)(c1ccccn1)C(F)(F)CCCCOc1ccccc1
InChIInChI=1S/C17H19F2NO3/c18-16(19,17(21,22)15-10-4-6-12-20-15)11-5-7-13-23-14-8-2-1-3-9-14/h1-4,6,8-10,12,21-22H,5,7,11,13H2
InChIKeyZBXTXASEVIWZPR-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.10
Rot. Bonds8

About 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol

2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol (PubChem CID 25019391) has the molecular formula C17H19F2NO3 and a molecular weight of 323.34 g/mol. Its IUPAC name is 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol.

Molecular Properties

Compound Name2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol
PubChem CID25019391
Molecular FormulaC17H19F2NO3
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol
SMILESOC(O)(c1ccccn1)C(F)(F)CCCCOc1ccccc1
InChIInChI=1S/C17H19F2NO3/c18-16(19,17(21,22)15-10-4-6-12-20-15)11-5-7-13-23-14-8-2-1-3-9-14/h1-4,6,8-10,12,21-22H,5,7,11,13H2
InChIKeyZBXTXASEVIWZPR-UHFFFAOYSA-N
XLogP3.10
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol?
The IUPAC name of 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol (CID 25019391) is 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol.
What is the SMILES notation for 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol?
The canonical SMILES for 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol is OC(O)(c1ccccn1)C(F)(F)CCCCOc1ccccc1.
What is the InChIKey of 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol?
The InChIKey is ZBXTXASEVIWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3/c18-16(19,17(21,22)15-10-4-6-12-20-15)11-5-7-13-23-14-8-2-1-3-9-14/h1-4,6,8-10,12,21-22H,5,7,11,13H2.
What are the key properties of 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol?
2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol has a molecular weight of 323.34 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol is sourced from PubChem (CID 25019391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).