[6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol

C8H10F2N2O2 — CID 86715268

IUPAC[6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol
SMILESCOc1nnc(C(C)(F)F)cc1CO
InChIInChI=1S/C8H10F2N2O2/c1-8(9,10)6-3-5(4-13)7(14-2)12-11-6/h3,13H,4H2,1-2H3
InChIKeyOOWPKYVXBFBQDZ-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.09
Rot. Bonds3

About [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol

[6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol (PubChem CID 86715268) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol.

Molecular Properties

Compound Name[6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol
PubChem CID86715268
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name[6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol
SMILESCOc1nnc(C(C)(F)F)cc1CO
InChIInChI=1S/C8H10F2N2O2/c1-8(9,10)6-3-5(4-13)7(14-2)12-11-6/h3,13H,4H2,1-2H3
InChIKeyOOWPKYVXBFBQDZ-UHFFFAOYSA-N
XLogP1.09
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol?
The IUPAC name of [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol (CID 86715268) is [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol.
What is the SMILES notation for [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol?
The canonical SMILES for [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol is COc1nnc(C(C)(F)F)cc1CO.
What is the InChIKey of [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol?
The InChIKey is OOWPKYVXBFBQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-8(9,10)6-3-5(4-13)7(14-2)12-11-6/h3,13H,4H2,1-2H3.
What are the key properties of [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol?
[6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol has a molecular weight of 204.18 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-difluoroethyl)-3-methoxypyridazin-4-yl]methanol is sourced from PubChem (CID 86715268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).