5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane

C9H14F2N2 — CID 168899846

IUPAC5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane
SMILESCC.Cc1cnn2c1CC(F)(F)C2
InChIInChI=1S/C7H8F2N2.C2H6/c1-5-3-10-11-4-7(8,9)2-6(5)11;1-2/h3H,2,4H2,1H3;1-2H3
InChIKeyOCCQFTVICAIRDD-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.41
Rot. Bonds

About 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane

5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane (PubChem CID 168899846) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane.

Molecular Properties

Compound Name5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane
PubChem CID168899846
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane
SMILESCC.Cc1cnn2c1CC(F)(F)C2
InChIInChI=1S/C7H8F2N2.C2H6/c1-5-3-10-11-4-7(8,9)2-6(5)11;1-2/h3H,2,4H2,1H3;1-2H3
InChIKeyOCCQFTVICAIRDD-UHFFFAOYSA-N
XLogP2.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane?
The IUPAC name of 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane (CID 168899846) is 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane.
What is the SMILES notation for 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane?
The canonical SMILES for 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane is CC.Cc1cnn2c1CC(F)(F)C2.
What is the InChIKey of 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane?
The InChIKey is OCCQFTVICAIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2.C2H6/c1-5-3-10-11-4-7(8,9)2-6(5)11;1-2/h3H,2,4H2,1H3;1-2H3.
What are the key properties of 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane?
5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane has a molecular weight of 188.22 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane is sourced from PubChem (CID 168899846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).