2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine

C19H23F5N2O — CID 142823035

IUPAC2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine
SMILESCCc1ccc(CC2=CC(C(F)(F)F)N(C(CF)CF)N=C2COC)cc1
InChIInChI=1S/C19H23F5N2O/c1-3-13-4-6-14(7-5-13)8-15-9-18(19(22,23)24)26(16(10-20)11-21)25-17(15)12-27-2/h4-7,9,16,18H,3,8,10-12H2,1-2H3
InChIKeyYGVRZHGBIIFIGE-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.27
Rot. Bonds8

About 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine

2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine (PubChem CID 142823035) has the molecular formula C19H23F5N2O and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine.

Molecular Properties

Compound Name2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine
PubChem CID142823035
Molecular FormulaC19H23F5N2O
Molecular Weight390.40 g/mol
Exact Mass390.17
IUPAC Name2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine
SMILESCCc1ccc(CC2=CC(C(F)(F)F)N(C(CF)CF)N=C2COC)cc1
InChIInChI=1S/C19H23F5N2O/c1-3-13-4-6-14(7-5-13)8-15-9-18(19(22,23)24)26(16(10-20)11-21)25-17(15)12-27-2/h4-7,9,16,18H,3,8,10-12H2,1-2H3
InChIKeyYGVRZHGBIIFIGE-UHFFFAOYSA-N
XLogP4.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 365916
3-Ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592556
3-Tert-butyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592557
(6R)-3-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 92275685
(6S)-3-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 92299044

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine?
The IUPAC name of 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine (CID 142823035) is 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine.
What is the SMILES notation for 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine?
The canonical SMILES for 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine is CCc1ccc(CC2=CC(C(F)(F)F)N(C(CF)CF)N=C2COC)cc1.
What is the InChIKey of 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine?
The InChIKey is YGVRZHGBIIFIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F5N2O/c1-3-13-4-6-14(7-5-13)8-15-9-18(19(22,23)24)26(16(10-20)11-21)25-17(15)12-27-2/h4-7,9,16,18H,3,8,10-12H2,1-2H3.
What are the key properties of 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine?
2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine has a molecular weight of 390.40 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine is sourced from PubChem (CID 142823035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).