1-(difluoromethyl)-6-ethylindazole

C10H10F2N2 — CID 146208795

IUPAC1-(difluoromethyl)-6-ethylindazole
SMILESCCc1ccc2cnn(C(F)F)c2c1
InChIInChI=1S/C10H10F2N2/c1-2-7-3-4-8-6-13-14(10(11)12)9(8)5-7/h3-6,10H,2H2,1H3
InChIKeyTUZYCVDEGSWNDW-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.99
Rot. Bonds2

About 1-(difluoromethyl)-6-ethylindazole

1-(difluoromethyl)-6-ethylindazole (PubChem CID 146208795) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-6-ethylindazole.

Molecular Properties

Compound Name1-(difluoromethyl)-6-ethylindazole
PubChem CID146208795
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name1-(difluoromethyl)-6-ethylindazole
SMILESCCc1ccc2cnn(C(F)F)c2c1
InChIInChI=1S/C10H10F2N2/c1-2-7-3-4-8-6-13-14(10(11)12)9(8)5-7/h3-6,10H,2H2,1H3
InChIKeyTUZYCVDEGSWNDW-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-6-ethylindazole?
The IUPAC name of 1-(difluoromethyl)-6-ethylindazole (CID 146208795) is 1-(difluoromethyl)-6-ethylindazole.
What is the SMILES notation for 1-(difluoromethyl)-6-ethylindazole?
The canonical SMILES for 1-(difluoromethyl)-6-ethylindazole is CCc1ccc2cnn(C(F)F)c2c1.
What is the InChIKey of 1-(difluoromethyl)-6-ethylindazole?
The InChIKey is TUZYCVDEGSWNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-2-7-3-4-8-6-13-14(10(11)12)9(8)5-7/h3-6,10H,2H2,1H3.
What are the key properties of 1-(difluoromethyl)-6-ethylindazole?
1-(difluoromethyl)-6-ethylindazole has a molecular weight of 196.20 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-6-ethylindazole is sourced from PubChem (CID 146208795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).