cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol

C9H9F3N2O — CID 175667315

IUPACcyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol
SMILESOC(c1ccc(C(F)(F)F)nn1)C1CC1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-4-3-6(13-14-7)8(15)5-1-2-5/h3-5,8,15H,1-2H2
InChIKeyCPBKVUNRQACWCD-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.94
Rot. Bonds2

About cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol

cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol (PubChem CID 175667315) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol
PubChem CID175667315
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Namecyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol
SMILESOC(c1ccc(C(F)(F)F)nn1)C1CC1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-4-3-6(13-14-7)8(15)5-1-2-5/h3-5,8,15H,1-2H2
InChIKeyCPBKVUNRQACWCD-UHFFFAOYSA-N
XLogP1.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol?
The IUPAC name of cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol (CID 175667315) is cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol?
The canonical SMILES for cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol is OC(c1ccc(C(F)(F)F)nn1)C1CC1.
What is the InChIKey of cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol?
The InChIKey is CPBKVUNRQACWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)7-4-3-6(13-14-7)8(15)5-1-2-5/h3-5,8,15H,1-2H2.
What are the key properties of cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol?
cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol has a molecular weight of 218.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol is sourced from PubChem (CID 175667315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).