3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile

C8H5F4N3O — CID 80510710

IUPAC3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1OCC(F)(F)C(F)F
InChIInChI=1S/C8H5F4N3O/c9-7(10)8(11,12)4-16-6-5(3-13)1-2-14-15-6/h1-2,7H,4H2
InChIKeyGXLLDCZPIGHVEU-UHFFFAOYSA-N
MW235.14 g/mol
LogP1.63
Rot. Bonds4

About 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile

3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile (PubChem CID 80510710) has the molecular formula C8H5F4N3O and a molecular weight of 235.14 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile
PubChem CID80510710
Molecular FormulaC8H5F4N3O
Molecular Weight235.14 g/mol
Exact Mass235.04
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1OCC(F)(F)C(F)F
InChIInChI=1S/C8H5F4N3O/c9-7(10)8(11,12)4-16-6-5(3-13)1-2-14-15-6/h1-2,7H,4H2
InChIKeyGXLLDCZPIGHVEU-UHFFFAOYSA-N
XLogP1.63
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-ynoxypyridazine-4-carbonitrile
CID 80510731
4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile
CID 4197247
3-(4-methylpentoxy)pyridazine-4-carbonitrile
CID 80510178
2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
CID 29004773
3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
CID 80510980
3-propan-2-yloxypyridazine-4-carbonitrile
CID 80510144
1,4-bis(2,2,3,3-tetrafluoropropoxy)naphthalene-2,3-dicarbonitrile
CID 170305306
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021
6-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonitrile
CID 64594578
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
CID 82812758
2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
CID 83073911

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile (CID 80510710) is 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile is N#Cc1ccnnc1OCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile?
The InChIKey is GXLLDCZPIGHVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4N3O/c9-7(10)8(11,12)4-16-6-5(3-13)1-2-14-15-6/h1-2,7H,4H2.
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile?
3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile has a molecular weight of 235.14 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).