tert-butyl formate;3-fluoro-2H-indazole

C12H15FN2O2 — CID 158237907

IUPACtert-butyl formate;3-fluoro-2H-indazole
SMILESCC(C)(C)OC=O.Fc1[nH]nc2ccccc12
InChIInChI=1S/C7H5FN2.C5H10O2/c8-7-5-3-1-2-4-6(5)9-10-7;1-5(2,3)7-4-6/h1-4H,(H,9,10);4H,1-3H3
InChIKeyGFEQMJGMLUJWKK-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.66
Rot. Bonds1

About tert-butyl formate;3-fluoro-2H-indazole

tert-butyl formate;3-fluoro-2H-indazole (PubChem CID 158237907) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is tert-butyl formate;3-fluoro-2H-indazole.

Molecular Properties

Compound Nametert-butyl formate;3-fluoro-2H-indazole
PubChem CID158237907
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Nametert-butyl formate;3-fluoro-2H-indazole
SMILESCC(C)(C)OC=O.Fc1[nH]nc2ccccc12
InChIInChI=1S/C7H5FN2.C5H10O2/c8-7-5-3-1-2-4-6(5)9-10-7;1-5(2,3)7-4-6/h1-4H,(H,9,10);4H,1-3H3
InChIKeyGFEQMJGMLUJWKK-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl formate;3-phenyl-1H-indazol-6-ol
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2-(1-bromoethyl)quinoline;tert-butyl formate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-fluoro-2H-indazole?
The IUPAC name of tert-butyl formate;3-fluoro-2H-indazole (CID 158237907) is tert-butyl formate;3-fluoro-2H-indazole.
What is the SMILES notation for tert-butyl formate;3-fluoro-2H-indazole?
The canonical SMILES for tert-butyl formate;3-fluoro-2H-indazole is CC(C)(C)OC=O.Fc1[nH]nc2ccccc12.
What is the InChIKey of tert-butyl formate;3-fluoro-2H-indazole?
The InChIKey is GFEQMJGMLUJWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2.C5H10O2/c8-7-5-3-1-2-4-6(5)9-10-7;1-5(2,3)7-4-6/h1-4H,(H,9,10);4H,1-3H3.
What are the key properties of tert-butyl formate;3-fluoro-2H-indazole?
tert-butyl formate;3-fluoro-2H-indazole has a molecular weight of 238.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-fluoro-2H-indazole is sourced from PubChem (CID 158237907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).