1-(2,2-difluoroethyl)-3-phenylindazole

C15H12F2N2 — CID 118568941

IUPAC1-(2,2-difluoroethyl)-3-phenylindazole
SMILESFC(F)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H12F2N2/c16-14(17)10-19-13-9-5-4-8-12(13)15(18-19)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyZRFMSJSWICFMNI-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.97
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-phenylindazole

1-(2,2-difluoroethyl)-3-phenylindazole (PubChem CID 118568941) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-phenylindazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-phenylindazole
PubChem CID118568941
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name1-(2,2-difluoroethyl)-3-phenylindazole
SMILESFC(F)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H12F2N2/c16-14(17)10-19-13-9-5-4-8-12(13)15(18-19)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKeyZRFMSJSWICFMNI-UHFFFAOYSA-N
XLogP3.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-3-phenylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-phenylindazole?
The IUPAC name of 1-(2,2-difluoroethyl)-3-phenylindazole (CID 118568941) is 1-(2,2-difluoroethyl)-3-phenylindazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-phenylindazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-phenylindazole is FC(F)Cn1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-phenylindazole?
The InChIKey is ZRFMSJSWICFMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-14(17)10-19-13-9-5-4-8-12(13)15(18-19)11-6-2-1-3-7-11/h1-9,14H,10H2.
What are the key properties of 1-(2,2-difluoroethyl)-3-phenylindazole?
1-(2,2-difluoroethyl)-3-phenylindazole has a molecular weight of 258.27 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-phenylindazole is sourced from PubChem (CID 118568941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).