4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one

C8H7Br2F3N2O — CID 114386390

IUPAC4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CCCC(F)(F)F
InChIInChI=1S/C8H7Br2F3N2O/c9-5-4-14-15(7(16)6(5)10)3-1-2-8(11,12)13/h4H,1-3H2
InChIKeyGYOBDDNNZMEVEL-UHFFFAOYSA-N
MW363.96 g/mol
LogP3.11
Rot. Bonds3

About 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one

4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one (PubChem CID 114386390) has the molecular formula C8H7Br2F3N2O and a molecular weight of 363.96 g/mol. Its IUPAC name is 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
PubChem CID114386390
Molecular FormulaC8H7Br2F3N2O
Molecular Weight363.96 g/mol
Exact Mass361.89
IUPAC Name4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
SMILESO=c1c(Br)c(Br)cnn1CCCC(F)(F)F
InChIInChI=1S/C8H7Br2F3N2O/c9-5-4-14-15(7(16)6(5)10)3-1-2-8(11,12)13/h4H,1-3H2
InChIKeyGYOBDDNNZMEVEL-UHFFFAOYSA-N
XLogP3.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.96
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dibromo-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 16091046
4,5-Dibromo-2-(1,1-difluoropropan-2-yl)pyridazin-3-one
CID 178067167
4,5-Dibromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 97178758
4,5-Dibromo-2-(2-fluoroethyl)pyridazin-3-one
CID 99718033
4,5-Dibromo-2-(difluoromethyl)pyridazin-3-one
CID 114386376
4,5-Dibromo-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 115643114
4,5-Dibromo-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 115644247
4,5-Dibromo-2-(3-fluoropropyl)pyridazin-3-one
CID 115705911
4,5-Dibromo-2-(2,2-difluoroethyl)pyridazin-3-one
CID 116006711
4,5-Dibromo-2-(5-fluoropentyl)pyridazin-3-one
CID 121527037
5-Bromo-2-(2,2,2-trifluoroethyl)pyridazin-3(2H)-one
CID 124927041
4-Bromo-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 134828366

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one (CID 114386390) is 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one is O=c1c(Br)c(Br)cnn1CCCC(F)(F)F.
What is the InChIKey of 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one?
The InChIKey is GYOBDDNNZMEVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F3N2O/c9-5-4-14-15(7(16)6(5)10)3-1-2-8(11,12)13/h4H,1-3H2.
What are the key properties of 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one?
4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one has a molecular weight of 363.96 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(4,4,4-trifluorobutyl)pyridazin-3-one is sourced from PubChem (CID 114386390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).