3-chloro-4-(2-fluoropropan-2-yl)pyridazine

C7H8ClFN2 — CID 131306613

IUPAC3-chloro-4-(2-fluoropropan-2-yl)pyridazine
SMILESCC(C)(F)c1ccnnc1Cl
InChIInChI=1S/C7H8ClFN2/c1-7(2,9)5-3-4-10-11-6(5)8/h3-4H,1-2H3
InChIKeyIUNSKUGOTNPAKA-UHFFFAOYSA-N
MW174.61 g/mol
LogP2.33
Rot. Bonds1

About 3-chloro-4-(2-fluoropropan-2-yl)pyridazine

3-chloro-4-(2-fluoropropan-2-yl)pyridazine (PubChem CID 131306613) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 3-chloro-4-(2-fluoropropan-2-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-(2-fluoropropan-2-yl)pyridazine
PubChem CID131306613
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name3-chloro-4-(2-fluoropropan-2-yl)pyridazine
SMILESCC(C)(F)c1ccnnc1Cl
InChIInChI=1S/C7H8ClFN2/c1-7(2,9)5-3-4-10-11-6(5)8/h3-4H,1-2H3
InChIKeyIUNSKUGOTNPAKA-UHFFFAOYSA-N
XLogP2.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-fluoropropan-2-yl)pyridazine?
The IUPAC name of 3-chloro-4-(2-fluoropropan-2-yl)pyridazine (CID 131306613) is 3-chloro-4-(2-fluoropropan-2-yl)pyridazine.
What is the SMILES notation for 3-chloro-4-(2-fluoropropan-2-yl)pyridazine?
The canonical SMILES for 3-chloro-4-(2-fluoropropan-2-yl)pyridazine is CC(C)(F)c1ccnnc1Cl.
What is the InChIKey of 3-chloro-4-(2-fluoropropan-2-yl)pyridazine?
The InChIKey is IUNSKUGOTNPAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c1-7(2,9)5-3-4-10-11-6(5)8/h3-4H,1-2H3.
What are the key properties of 3-chloro-4-(2-fluoropropan-2-yl)pyridazine?
3-chloro-4-(2-fluoropropan-2-yl)pyridazine has a molecular weight of 174.61 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-fluoropropan-2-yl)pyridazine is sourced from PubChem (CID 131306613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).