4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole

C15H17FN2O — CID 171067202

IUPAC4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole
SMILESC=CCc1cc(F)c2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C15H17FN2O/c1-2-5-11-8-13(16)12-10-17-18(14(12)9-11)15-6-3-4-7-19-15/h2,8-10,15H,1,3-7H2
InChIKeyXIHWZHMHANLYIA-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.60
Rot. Bonds3

About 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole

4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole (PubChem CID 171067202) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole.

Molecular Properties

Compound Name4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole
PubChem CID171067202
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole
SMILESC=CCc1cc(F)c2cnn(C3CCCCO3)c2c1
InChIInChI=1S/C15H17FN2O/c1-2-5-11-8-13(16)12-10-17-18(14(12)9-11)15-6-3-4-7-19-15/h2,8-10,15H,1,3-7H2
InChIKeyXIHWZHMHANLYIA-UHFFFAOYSA-N
XLogP3.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-1-(oxan-2-yl)indazol-4-amine
CID 175161622
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 171567702
4-ethenyl-7-fluoro-5-methyl-1-(oxan-2-yl)indazole
CID 163261780
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
6-ethenyl-5-nitro-1-(oxan-2-yl)indazole
CID 171567671
4-bromo-5-ethenyl-6,6-difluoro-1-(oxan-2-yl)-7H-cyclopenta[f]indazol-5-ol
CID 171567802
6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
CID 162677646
4-bromo-6,6-difluoro-5-methyl-1-(oxan-2-yl)-5,7-dihydrocyclopenta[f]indazole
CID 171567923
1-(oxan-2-yl)-6-(oxan-4-yl)indazol-4-amine
CID 171067405
2-[4-bromo-6-fluoro-1-(oxan-2-yl)indazol-5-yl]butan-1-ol;ethanol
CID 171613697

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole?
The IUPAC name of 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole (CID 171067202) is 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole.
What is the SMILES notation for 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole?
The canonical SMILES for 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole is C=CCc1cc(F)c2cnn(C3CCCCO3)c2c1.
What is the InChIKey of 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole?
The InChIKey is XIHWZHMHANLYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-5-11-8-13(16)12-10-17-18(14(12)9-11)15-6-3-4-7-19-15/h2,8-10,15H,1,3-7H2.
What are the key properties of 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole?
4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole has a molecular weight of 260.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole is sourced from PubChem (CID 171067202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).