[6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol

C10H14F2N2O — CID 144606143

IUPAC[6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol
SMILESCC(C)c1nnc(C(C)(F)F)cc1CO
InChIInChI=1S/C10H14F2N2O/c1-6(2)9-7(5-15)4-8(13-14-9)10(3,11)12/h4,6,15H,5H2,1-3H3
InChIKeyMQGXDEHHSRNLTL-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.20
Rot. Bonds3

About [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol

[6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol (PubChem CID 144606143) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol.

Molecular Properties

Compound Name[6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol
PubChem CID144606143
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name[6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol
SMILESCC(C)c1nnc(C(C)(F)F)cc1CO
InChIInChI=1S/C10H14F2N2O/c1-6(2)9-7(5-15)4-8(13-14-9)10(3,11)12/h4,6,15H,5H2,1-3H3
InChIKeyMQGXDEHHSRNLTL-UHFFFAOYSA-N
XLogP2.20
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol?
The IUPAC name of [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol (CID 144606143) is [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol.
What is the SMILES notation for [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol?
The canonical SMILES for [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol is CC(C)c1nnc(C(C)(F)F)cc1CO.
What is the InChIKey of [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol?
The InChIKey is MQGXDEHHSRNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-6(2)9-7(5-15)4-8(13-14-9)10(3,11)12/h4,6,15H,5H2,1-3H3.
What are the key properties of [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol?
[6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol has a molecular weight of 216.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-difluoroethyl)-3-propan-2-ylpyridazin-4-yl]methanol is sourced from PubChem (CID 144606143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).