8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

C13H16FN — CID 154027020

IUPAC8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESCNc1c2c(c(F)c3c1CCC3)CCC2
InChIInChI=1S/C13H16FN/c1-15-13-10-6-2-4-8(10)12(14)9-5-3-7-11(9)13/h15H,2-7H2,1H3
InChIKeyJIKJWOKFPUKODY-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.84
Rot. Bonds1

About 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine

8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (PubChem CID 154027020) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
PubChem CID154027020
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
SMILESCNc1c2c(c(F)c3c1CCC3)CCC2
InChIInChI=1S/C13H16FN/c1-15-13-10-6-2-4-8(10)12(14)9-5-3-7-11(9)13/h15H,2-7H2,1H3
InChIKeyJIKJWOKFPUKODY-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The IUPAC name of 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine (CID 154027020) is 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine.
What is the SMILES notation for 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The canonical SMILES for 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is CNc1c2c(c(F)c3c1CCC3)CCC2.
What is the InChIKey of 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
The InChIKey is JIKJWOKFPUKODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c1-15-13-10-6-2-4-8(10)12(14)9-5-3-7-11(9)13/h15H,2-7H2,1H3.
What are the key properties of 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine?
8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine has a molecular weight of 205.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine is sourced from PubChem (CID 154027020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).