(3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone

C18H16F2N2O — CID 67726636

IUPAC(3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone
SMILESC[C@@H]1CNN=C(c2ccccc2)[C@@H]1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N2O/c1-11-10-21-22-17(12-5-3-2-4-6-12)16(11)18(23)13-7-8-14(19)15(20)9-13/h2-9,11,16,21H,10H2,1H3/t11-,16-/m1/s1
InChIKeyDESWORYLHDHSNZ-BDJLRTHQSA-N
MW314.34 g/mol
LogP3.41
Rot. Bonds3

About (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone

(3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone (PubChem CID 67726636) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone
PubChem CID67726636
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone
SMILESC[C@@H]1CNN=C(c2ccccc2)[C@@H]1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N2O/c1-11-10-21-22-17(12-5-3-2-4-6-12)16(11)18(23)13-7-8-14(19)15(20)9-13/h2-9,11,16,21H,10H2,1H3/t11-,16-/m1/s1
InChIKeyDESWORYLHDHSNZ-BDJLRTHQSA-N
XLogP3.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone (CID 67726636) is (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone is C[C@@H]1CNN=C(c2ccccc2)[C@@H]1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone?
The InChIKey is DESWORYLHDHSNZ-BDJLRTHQSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-11-10-21-22-17(12-5-3-2-4-6-12)16(11)18(23)13-7-8-14(19)15(20)9-13/h2-9,11,16,21H,10H2,1H3/t11-,16-/m1/s1.
What are the key properties of (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone?
(3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone has a molecular weight of 314.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[(4R,5S)-5-methyl-3-phenyl-1,4,5,6-tetrahydropyridazin-4-yl]methanone is sourced from PubChem (CID 67726636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).