2-[(4-fluorophenyl)methyl]indazole

C14H11FN2 — CID 66772041

IUPAC2-[(4-fluorophenyl)methyl]indazole
SMILESFc1ccc(Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C14H11FN2/c15-13-7-5-11(6-8-13)9-17-10-12-3-1-2-4-14(12)16-17/h1-8,10H,9H2
InChIKeyZZBMWYUFXFJWDB-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.22
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]indazole

2-[(4-fluorophenyl)methyl]indazole (PubChem CID 66772041) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]indazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]indazole
PubChem CID66772041
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name2-[(4-fluorophenyl)methyl]indazole
SMILESFc1ccc(Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C14H11FN2/c15-13-7-5-11(6-8-13)9-17-10-12-3-1-2-4-14(12)16-17/h1-8,10H,9H2
InChIKeyZZBMWYUFXFJWDB-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]indazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]indazole (CID 66772041) is 2-[(4-fluorophenyl)methyl]indazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]indazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]indazole is Fc1ccc(Cn2cc3ccccc3n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]indazole?
The InChIKey is ZZBMWYUFXFJWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-13-7-5-11(6-8-13)9-17-10-12-3-1-2-4-14(12)16-17/h1-8,10H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]indazole?
2-[(4-fluorophenyl)methyl]indazole has a molecular weight of 226.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]indazole is sourced from PubChem (CID 66772041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).