2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol

C12H16F2N2O — CID 114225925

IUPAC2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol
SMILESOC(CC1CCCC(F)(F)C1)c1ccnnc1
InChIInChI=1S/C12H16F2N2O/c13-12(14)4-1-2-9(7-12)6-11(17)10-3-5-15-16-8-10/h3,5,8-9,11,17H,1-2,4,6-7H2
InChIKeyRHSMYGZLZLOIOR-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.73
Rot. Bonds3

About 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol

2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol (PubChem CID 114225925) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol
PubChem CID114225925
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol
SMILESOC(CC1CCCC(F)(F)C1)c1ccnnc1
InChIInChI=1S/C12H16F2N2O/c13-12(14)4-1-2-9(7-12)6-11(17)10-3-5-15-16-8-10/h3,5,8-9,11,17H,1-2,4,6-7H2
InChIKeyRHSMYGZLZLOIOR-UHFFFAOYSA-N
XLogP2.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(3,3-difluorocyclohexyl)ethanol
CID 114225917
1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol
CID 151502298
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
2-cyclohexyl-1-pyridin-4-ylethanol
CID 62606485
1-(3-bromo-2-pyridinyl)-2-(3,3-difluorocyclopentyl)ethanol
CID 114224727
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
(2-cyclopentyl-1-pyridazin-4-ylethyl)hydrazine
CID 105299090
2-(3,3-difluorocyclohexyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 114225872
2-cyclobutyl-1-pyridazin-4-ylethanamine
CID 105151634
2-[(3,3-difluorocyclohexyl)methylsulfanyl]phenol
CID 114224994
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol (CID 114225925) is 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol is OC(CC1CCCC(F)(F)C1)c1ccnnc1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol?
The InChIKey is RHSMYGZLZLOIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-12(14)4-1-2-9(7-12)6-11(17)10-3-5-15-16-8-10/h3,5,8-9,11,17H,1-2,4,6-7H2.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol?
2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol has a molecular weight of 242.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 114225925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).