6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one

C6H5ClF2N2O — CID 165172490

IUPAC6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one
SMILESO=c1ccc(Cl)nn1CC(F)F
InChIInChI=1S/C6H5ClF2N2O/c7-4-1-2-6(12)11(10-4)3-5(8)9/h1-2,5H,3H2
InChIKeyBBVQMHURFLHXFH-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.16
Rot. Bonds2

About 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one

6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one (PubChem CID 165172490) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one
PubChem CID165172490
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one
SMILESO=c1ccc(Cl)nn1CC(F)F
InChIInChI=1S/C6H5ClF2N2O/c7-4-1-2-6(12)11(10-4)3-5(8)9/h1-2,5H,3H2
InChIKeyBBVQMHURFLHXFH-UHFFFAOYSA-N
XLogP1.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-(difluoromethyl)pyridazin-3-one
CID 69306581
6-Chloro-2-(fluoromethyl)pyridazin-3-one
CID 69307412
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 91321894
6-Bromo-2-(2-fluoroethyl)pyridazin-3-one
CID 165406402
2-(2,2,2-Trifluoroethyl)-6-trimethylstannylpyridazin-3-one
CID 172272402
2-(2-Fluoroethyl)pyridazin-3-one
CID 173672755
2-(1,2,2-Trifluoroethyl)pyridazin-3-one
CID 174406516
2-(2,2,2-Trifluoroethyl)pyridazin-3-one;hydrochloride
CID 176084472
6-Chloro-2-ethyl-4-(trifluoromethyl)pyridazin-3-one
CID 176384830
4-Bromo-6-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 176388154
6-Chloro-2-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridazin-3-one
CID 176388157
4-Bromo-6-chloro-2-(1,1,1-trifluoropropan-2-yl)pyridazin-3-one
CID 177149686

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one (CID 165172490) is 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one is O=c1ccc(Cl)nn1CC(F)F.
What is the InChIKey of 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one?
The InChIKey is BBVQMHURFLHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-4-1-2-6(12)11(10-4)3-5(8)9/h1-2,5H,3H2.
What are the key properties of 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one?
6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one has a molecular weight of 194.57 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,2-difluoroethyl)pyridazin-3-one is sourced from PubChem (CID 165172490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).