1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine

C15H11FN2O2 — CID 70844610

IUPAC1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine
SMILESNc1cn(-c2ccc3c(c2)OCO3)c2cc(F)ccc12
InChIInChI=1S/C15H11FN2O2/c16-9-1-3-11-12(17)7-18(13(11)5-9)10-2-4-14-15(6-10)20-8-19-14/h1-7H,8,17H2
InChIKeyYCXIDCVALBOQIF-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.08
Rot. Bonds1

About 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine

1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine (PubChem CID 70844610) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine
PubChem CID70844610
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine
SMILESNc1cn(-c2ccc3c(c2)OCO3)c2cc(F)ccc12
InChIInChI=1S/C15H11FN2O2/c16-9-1-3-11-12(17)7-18(13(11)5-9)10-2-4-14-15(6-10)20-8-19-14/h1-7H,8,17H2
InChIKeyYCXIDCVALBOQIF-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine (CID 70844610) is 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine is Nc1cn(-c2ccc3c(c2)OCO3)c2cc(F)ccc12.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine?
The InChIKey is YCXIDCVALBOQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-9-1-3-11-12(17)7-18(13(11)5-9)10-2-4-14-15(6-10)20-8-19-14/h1-7H,8,17H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine?
1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine has a molecular weight of 270.26 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-6-fluoroindol-3-amine is sourced from PubChem (CID 70844610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).