2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol

C8H9F2NO — CID 118943981

IUPAC2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(F)(F)CO)cn1
InChIInChI=1S/C8H9F2NO/c1-6-2-3-7(4-11-6)8(9,10)5-12/h2-4,12H,5H2,1H3
InChIKeyYIEGEIXSYLHYIE-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.47
Rot. Bonds2

About 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol

2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol (PubChem CID 118943981) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol
PubChem CID118943981
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(F)(F)CO)cn1
InChIInChI=1S/C8H9F2NO/c1-6-2-3-7(4-11-6)8(9,10)5-12/h2-4,12H,5H2,1H3
InChIKeyYIEGEIXSYLHYIE-UHFFFAOYSA-N
XLogP1.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 7675
CID 7675
CID 17861
CID 17861
CID 72921
CID 72921
CID 66991
CID 66991
CID 78894
CID 78894
CID 72922
CID 72922
CID 72923
CID 72923
CID 80515
CID 80515
CID 9562669
CID 9562669
CID 268518
CID 268518
CID 98758
CID 98758
CID 302564
CID 302564

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol (CID 118943981) is 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol is Cc1ccc(C(F)(F)CO)cn1.
What is the InChIKey of 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol?
The InChIKey is YIEGEIXSYLHYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-6-2-3-7(4-11-6)8(9,10)5-12/h2-4,12H,5H2,1H3.
What are the key properties of 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol?
2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol has a molecular weight of 173.16 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(6-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 118943981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).