2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol

C14H14F2N2O — CID 105133084

IUPAC2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2c(F)cccc2F)c(C)nn1
InChIInChI=1S/C14H14F2N2O/c1-8-6-10(9(2)18-17-8)14(19)7-11-12(15)4-3-5-13(11)16/h3-6,14,19H,7H2,1-2H3
InChIKeyYOHOUXOBBZZIRK-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.65
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol

2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (PubChem CID 105133084) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
PubChem CID105133084
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2c(F)cccc2F)c(C)nn1
InChIInChI=1S/C14H14F2N2O/c1-8-6-10(9(2)18-17-8)14(19)7-11-12(15)4-3-5-13(11)16/h3-6,14,19H,7H2,1-2H3
InChIKeyYOHOUXOBBZZIRK-UHFFFAOYSA-N
XLogP2.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105081232
2-(3-chloro-4-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 103043689
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
CID 105080205
2-(2-chloro-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 102623179
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
CID 105089473
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105125344
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(2-fluorophenyl)ethanol
CID 105077714
2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220168
2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
CID 114552917
(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105186511
1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol
CID 105082424

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (CID 105133084) is 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is Cc1cc(C(O)Cc2c(F)cccc2F)c(C)nn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The InChIKey is YOHOUXOBBZZIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-8-6-10(9(2)18-17-8)14(19)7-11-12(15)4-3-5-13(11)16/h3-6,14,19H,7H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol has a molecular weight of 264.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105133084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).