1-[1-(difluoromethyl)indazol-5-yl]ethanone

C10H8F2N2O — CID 175614850

IUPAC1-[1-(difluoromethyl)indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(cnn2C(F)F)c1
InChIInChI=1S/C10H8F2N2O/c1-6(15)7-2-3-9-8(4-7)5-13-14(9)10(11)12/h2-5,10H,1H3
InChIKeyLQIFVULSFHULCC-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.63
Rot. Bonds2

About 1-[1-(difluoromethyl)indazol-5-yl]ethanone

1-[1-(difluoromethyl)indazol-5-yl]ethanone (PubChem CID 175614850) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)indazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(difluoromethyl)indazol-5-yl]ethanone
PubChem CID175614850
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name1-[1-(difluoromethyl)indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(cnn2C(F)F)c1
InChIInChI=1S/C10H8F2N2O/c1-6(15)7-2-3-9-8(4-7)5-13-14(9)10(11)12/h2-5,10H,1H3
InChIKeyLQIFVULSFHULCC-UHFFFAOYSA-N
XLogP2.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)indazol-5-yl]ethanone?
The IUPAC name of 1-[1-(difluoromethyl)indazol-5-yl]ethanone (CID 175614850) is 1-[1-(difluoromethyl)indazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(difluoromethyl)indazol-5-yl]ethanone?
The canonical SMILES for 1-[1-(difluoromethyl)indazol-5-yl]ethanone is CC(=O)c1ccc2c(cnn2C(F)F)c1.
What is the InChIKey of 1-[1-(difluoromethyl)indazol-5-yl]ethanone?
The InChIKey is LQIFVULSFHULCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-6(15)7-2-3-9-8(4-7)5-13-14(9)10(11)12/h2-5,10H,1H3.
What are the key properties of 1-[1-(difluoromethyl)indazol-5-yl]ethanone?
1-[1-(difluoromethyl)indazol-5-yl]ethanone has a molecular weight of 210.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)indazol-5-yl]ethanone is sourced from PubChem (CID 175614850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).