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

C22H38F2N2 — CID 169124848

IUPAC3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane
SMILESCC.CC.CC.CC.Cc1nnc(-c2ccc(C(F)F)cc2)c(C)c1C
InChIInChI=1S/C14H14F2N2.4C2H6/c1-8-9(2)13(18-17-10(8)3)11-4-6-12(7-5-11)14(15)16;4*1-2/h4-7,14H,1-3H3;4*1-2H3
InChIKeyDVLJRAQEJYYNDK-UHFFFAOYSA-N
MW368.56 g/mol
LogP8.11
Rot. Bonds2

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

3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane (PubChem CID 169124848) has the molecular formula C22H38F2N2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane.

Molecular Properties

Compound Name3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane
PubChem CID169124848
Molecular FormulaC22H38F2N2
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Name3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane
SMILESCC.CC.CC.CC.Cc1nnc(-c2ccc(C(F)F)cc2)c(C)c1C
InChIInChI=1S/C14H14F2N2.4C2H6/c1-8-9(2)13(18-17-10(8)3)11-4-6-12(7-5-11)14(15)16;4*1-2/h4-7,14H,1-3H3;4*1-2H3
InChIKeyDVLJRAQEJYYNDK-UHFFFAOYSA-N
XLogP8.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 58.11
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;ethane?
The IUPAC name of 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane (CID 169124848) is 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane.
What is the SMILES notation for 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane?
The canonical SMILES for 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane is CC.CC.CC.CC.Cc1nnc(-c2ccc(C(F)F)cc2)c(C)c1C.
What is the InChIKey of 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane?
The InChIKey is DVLJRAQEJYYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2.4C2H6/c1-8-9(2)13(18-17-10(8)3)11-4-6-12(7-5-11)14(15)16;4*1-2/h4-7,14H,1-3H3;4*1-2H3.
What are the key properties of 3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane?
3-[4-(difluoromethyl)phenyl]-4,5,6-trimethylpyridazine;ethane has a molecular weight of 368.56 g/mol, XLogP of 8.11, 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;ethane is sourced from PubChem (CID 169124848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).