1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone

C11H10F2N2O — CID 175614842

IUPAC1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c(C)nn2C(F)F
InChIInChI=1S/C11H10F2N2O/c1-6-9-5-8(7(2)16)3-4-10(9)15(14-6)11(12)13/h3-5,11H,1-2H3
InChIKeyWEJIVECBALVUPD-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.94
Rot. Bonds2

About 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone

1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone (PubChem CID 175614842) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone
PubChem CID175614842
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c(C)nn2C(F)F
InChIInChI=1S/C11H10F2N2O/c1-6-9-5-8(7(2)16)3-4-10(9)15(14-6)11(12)13/h3-5,11H,1-2H3
InChIKeyWEJIVECBALVUPD-UHFFFAOYSA-N
XLogP2.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone?
The IUPAC name of 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone (CID 175614842) is 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone?
The canonical SMILES for 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone is CC(=O)c1ccc2c(c1)c(C)nn2C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone?
The InChIKey is WEJIVECBALVUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-6-9-5-8(7(2)16)3-4-10(9)15(14-6)11(12)13/h3-5,11H,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone?
1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone has a molecular weight of 224.21 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-3-methylindazol-5-yl]ethanone is sourced from PubChem (CID 175614842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).