1-[1-(4-fluorophenyl)ethyl]indazole

C15H13FN2 — CID 173016436

IUPAC1-[1-(4-fluorophenyl)ethyl]indazole
SMILESCC(c1ccc(F)cc1)n1ncc2ccccc21
InChIInChI=1S/C15H13FN2/c1-11(12-6-8-14(16)9-7-12)18-15-5-3-2-4-13(15)10-17-18/h2-11H,1H3
InChIKeyXTSNIEMMDLQDJS-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.78
Rot. Bonds2

About 1-[1-(4-fluorophenyl)ethyl]indazole

1-[1-(4-fluorophenyl)ethyl]indazole (PubChem CID 173016436) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]indazole.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]indazole
PubChem CID173016436
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name1-[1-(4-fluorophenyl)ethyl]indazole
SMILESCC(c1ccc(F)cc1)n1ncc2ccccc21
InChIInChI=1S/C15H13FN2/c1-11(12-6-8-14(16)9-7-12)18-15-5-3-2-4-13(15)10-17-18/h2-11H,1H3
InChIKeyXTSNIEMMDLQDJS-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]indazole?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]indazole (CID 173016436) is 1-[1-(4-fluorophenyl)ethyl]indazole.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]indazole?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]indazole is CC(c1ccc(F)cc1)n1ncc2ccccc21.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]indazole?
The InChIKey is XTSNIEMMDLQDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-11(12-6-8-14(16)9-7-12)18-15-5-3-2-4-13(15)10-17-18/h2-11H,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]indazole?
1-[1-(4-fluorophenyl)ethyl]indazole has a molecular weight of 240.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]indazole is sourced from PubChem (CID 173016436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).