3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine

C14H12F2N2O — CID 18956522

IUPAC3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine
SMILESCC(c1cccnn1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C14H12F2N2O/c1-9(13-3-2-6-17-18-13)14(8-19-14)11-5-4-10(15)7-12(11)16/h2-7,9H,8H2,1H3
InChIKeyAEQYCYAFVOHDQZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.78
Rot. Bonds3

About 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine

3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine (PubChem CID 18956522) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine.

Molecular Properties

Compound Name3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine
PubChem CID18956522
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine
SMILESCC(c1cccnn1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C14H12F2N2O/c1-9(13-3-2-6-17-18-13)14(8-19-14)11-5-4-10(15)7-12(11)16/h2-7,9H,8H2,1H3
InChIKeyAEQYCYAFVOHDQZ-UHFFFAOYSA-N
XLogP2.78
TPSA38.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(a-Methoxybenzyl)pyridazine
CID 15684250
4-(a-Methoxybenzyl)pyridazin
CID 13205671
4-(a-Methoxy-a-methylbenzyl)pyridazin
CID 13316259
(4-fluorophenyl)methyl N-(3-propoxy-4-pyridazin-3-ylcyclohexa-2,5-dien-1-ylidene)carbamate
CID 70533255
3-[[2-(2,4-Difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-[4-(trifluoromethyl)phenyl]pyridazine
CID 89309525
3-[2-(3,4-Difluorophenyl)ethynyl]-6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridazine
CID 89634423
17-Methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene
CID 177046167
3-[Ethoxy(phenyl)methyl]pyridazine
CID 15684251
1-Phenyl-(4-pyridazinyl)ethanol
CID 13205675
4-Benzyl-5-methoxymethylpyridazin
CID 13205685
2-(4-Fluorophenyl)-1-pyridazin-4-ylethanol
CID 105076979
(4-Fluorophenyl)-pyridazin-4-ylmethanol
CID 105077226

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine?
The IUPAC name of 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine (CID 18956522) is 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine.
What is the SMILES notation for 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine?
The canonical SMILES for 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine is CC(c1cccnn1)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine?
The InChIKey is AEQYCYAFVOHDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-9(13-3-2-6-17-18-13)14(8-19-14)11-5-4-10(15)7-12(11)16/h2-7,9H,8H2,1H3.
What are the key properties of 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine?
3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine has a molecular weight of 262.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]pyridazine is sourced from PubChem (CID 18956522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).