ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole

C15H21FN2O — CID 144574984

IUPACethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
SMILESCC.Cc1nn(C2CCCCO2)c2cccc(F)c12
InChIInChI=1S/C13H15FN2O.C2H6/c1-9-13-10(14)5-4-6-11(13)16(15-9)12-7-2-3-8-17-12;1-2/h4-6,12H,2-3,7-8H2,1H3;1-2H3
InChIKeyJNUWOZHPISNEAY-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.21
Rot. Bonds1

About ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole

ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole (PubChem CID 144574984) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Nameethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
PubChem CID144574984
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Nameethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
SMILESCC.Cc1nn(C2CCCCO2)c2cccc(F)c12
InChIInChI=1S/C13H15FN2O.C2H6/c1-9-13-10(14)5-4-6-11(13)16(15-9)12-7-2-3-8-17-12;1-2/h4-6,12H,2-3,7-8H2,1H3;1-2H3
InChIKeyJNUWOZHPISNEAY-UHFFFAOYSA-N
XLogP4.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole?
The IUPAC name of ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole (CID 144574984) is ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole.
What is the SMILES notation for ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole?
The canonical SMILES for ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole is CC.Cc1nn(C2CCCCO2)c2cccc(F)c12.
What is the InChIKey of ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole?
The InChIKey is JNUWOZHPISNEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O.C2H6/c1-9-13-10(14)5-4-6-11(13)16(15-9)12-7-2-3-8-17-12;1-2/h4-6,12H,2-3,7-8H2,1H3;1-2H3.
What are the key properties of ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole?
ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole has a molecular weight of 264.34 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole is sourced from PubChem (CID 144574984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).