2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol

C14H13F2NO2 — CID 132820865

IUPAC2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol
SMILESCOc1ccc(C(O)(c2ccccc2)C(F)F)cn1
InChIInChI=1S/C14H13F2NO2/c1-19-12-8-7-11(9-17-12)14(18,13(15)16)10-5-3-2-4-6-10/h2-9,13,18H,1H3
InChIKeyXLDMDVCZASNJAY-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.59
Rot. Bonds4

About 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol

2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol (PubChem CID 132820865) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol
PubChem CID132820865
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol
SMILESCOc1ccc(C(O)(c2ccccc2)C(F)F)cn1
InChIInChI=1S/C14H13F2NO2/c1-19-12-8-7-11(9-17-12)14(18,13(15)16)10-5-3-2-4-6-10/h2-9,13,18H,1H3
InChIKeyXLDMDVCZASNJAY-UHFFFAOYSA-N
XLogP2.59
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol?
The IUPAC name of 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol (CID 132820865) is 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol.
What is the SMILES notation for 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol?
The canonical SMILES for 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol is COc1ccc(C(O)(c2ccccc2)C(F)F)cn1.
What is the InChIKey of 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol?
The InChIKey is XLDMDVCZASNJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-19-12-8-7-11(9-17-12)14(18,13(15)16)10-5-3-2-4-6-10/h2-9,13,18H,1H3.
What are the key properties of 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol?
2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol has a molecular weight of 265.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(6-methoxy-3-pyridinyl)-1-phenylethanol is sourced from PubChem (CID 132820865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).