4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole

C15H11BrF2N2 — CID 171534158

IUPAC4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole
SMILESFC(F)(Cn1cc2c(Br)cccc2n1)c1ccccc1
InChIInChI=1S/C15H11BrF2N2/c16-13-7-4-8-14-12(13)9-20(19-14)10-15(17,18)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyORFDEGJUAIESMW-UHFFFAOYSA-N
MW337.17 g/mol
LogP4.59
Rot. Bonds3

About 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole

4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole (PubChem CID 171534158) has the molecular formula C15H11BrF2N2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole.

Molecular Properties

Compound Name4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole
PubChem CID171534158
Molecular FormulaC15H11BrF2N2
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole
SMILESFC(F)(Cn1cc2c(Br)cccc2n1)c1ccccc1
InChIInChI=1S/C15H11BrF2N2/c16-13-7-4-8-14-12(13)9-20(19-14)10-15(17,18)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyORFDEGJUAIESMW-UHFFFAOYSA-N
XLogP4.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole?
The IUPAC name of 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole (CID 171534158) is 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole.
What is the SMILES notation for 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole?
The canonical SMILES for 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole is FC(F)(Cn1cc2c(Br)cccc2n1)c1ccccc1.
What is the InChIKey of 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole?
The InChIKey is ORFDEGJUAIESMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2/c16-13-7-4-8-14-12(13)9-20(19-14)10-15(17,18)11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole?
4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole has a molecular weight of 337.17 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole is sourced from PubChem (CID 171534158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).