3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one

C17H18F2N2O3 — CID 169091017

IUPAC3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one
SMILESO=c1ccc(CCc2ccc(OC(F)F)c(OCC3CC3)c2)n[nH]1
InChIInChI=1S/C17H18F2N2O3/c18-17(19)24-14-7-4-11(9-15(14)23-10-12-1-2-12)3-5-13-6-8-16(22)21-20-13/h4,6-9,12,17H,1-3,5,10H2,(H,21,22)
InChIKeyFYRAAIHNYIHXIM-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.95
Rot. Bonds8

About 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one

3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one (PubChem CID 169091017) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one
PubChem CID169091017
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one
SMILESO=c1ccc(CCc2ccc(OC(F)F)c(OCC3CC3)c2)n[nH]1
InChIInChI=1S/C17H18F2N2O3/c18-17(19)24-14-7-4-11(9-15(14)23-10-12-1-2-12)3-5-13-6-8-16(22)21-20-13/h4,6-9,12,17H,1-3,5,10H2,(H,21,22)
InChIKeyFYRAAIHNYIHXIM-UHFFFAOYSA-N
XLogP2.95
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one (CID 169091017) is 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one is O=c1ccc(CCc2ccc(OC(F)F)c(OCC3CC3)c2)n[nH]1.
What is the InChIKey of 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one?
The InChIKey is FYRAAIHNYIHXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c18-17(19)24-14-7-4-11(9-15(14)23-10-12-1-2-12)3-5-13-6-8-16(22)21-20-13/h4,6-9,12,17H,1-3,5,10H2,(H,21,22).
What are the key properties of 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one?
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one has a molecular weight of 336.34 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]-1H-pyridazin-6-one is sourced from PubChem (CID 169091017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).