3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine

C14H14F2N2 — CID 169124247

IUPAC3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine
SMILESCc1nnc(-c2ccc(C(F)F)cc2)c(C)c1C
InChIInChI=1S/C14H14F2N2/c1-8-9(2)13(18-17-10(8)3)11-4-6-12(7-5-11)14(15)16/h4-7,14H,1-3H3
InChIKeyXIPZVHJRCONQKT-UHFFFAOYSA-N
MW248.28 g/mol
LogP4.01
Rot. Bonds2

About 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine

3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine (PubChem CID 169124247) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine.

Molecular Properties

Compound Name3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine
PubChem CID169124247
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine
SMILESCc1nnc(-c2ccc(C(F)F)cc2)c(C)c1C
InChIInChI=1S/C14H14F2N2/c1-8-9(2)13(18-17-10(8)3)11-4-6-12(7-5-11)14(15)16/h4-7,14H,1-3H3
InChIKeyXIPZVHJRCONQKT-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine?
The IUPAC name of 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine (CID 169124247) is 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine.
What is the SMILES notation for 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine?
The canonical SMILES for 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine is Cc1nnc(-c2ccc(C(F)F)cc2)c(C)c1C.
What is the InChIKey of 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine?
The InChIKey is XIPZVHJRCONQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-8-9(2)13(18-17-10(8)3)11-4-6-12(7-5-11)14(15)16/h4-7,14H,1-3H3.
What are the key properties of 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine?
3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine has a molecular weight of 248.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine is sourced from PubChem (CID 169124247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).