3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane

C16H21FN2 — CID 116531514

IUPAC3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESFc1ccc2c(c1)CCC2N1CCC2CCC(C1)N2
InChIInChI=1S/C16H21FN2/c17-12-2-5-15-11(9-12)1-6-16(15)19-8-7-13-3-4-14(10-19)18-13/h2,5,9,13-14,16,18H,1,3-4,6-8,10H2
InChIKeyCAVFVAZSRIVWRG-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.64
Rot. Bonds1

About 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane

3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 116531514) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID116531514
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESFc1ccc2c(c1)CCC2N1CCC2CCC(C1)N2
InChIInChI=1S/C16H21FN2/c17-12-2-5-15-11(9-12)1-6-16(15)19-8-7-13-3-4-14(10-19)18-13/h2,5,9,13-14,16,18H,1,3-4,6-8,10H2
InChIKeyCAVFVAZSRIVWRG-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpiperidin-3-amine
CID 116531458
2-[1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]ethanamine
CID 116531465
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 116531428
(3S,4S)-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 114086353
3-(3,4-dihydro-1H-isochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 107150003
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-fluorobenzonitrile
CID 113284896
1-[5-[2-(3-fluorophenyl)ethynyl]-2,3-dihydro-1H-inden-1-yl]pyrrolidine
CID 167135969
(10bS)-8-fluoro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-1-amine
CID 142337194
1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975645
3-(2,4-difluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314201
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 116531514) is 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane is Fc1ccc2c(c1)CCC2N1CCC2CCC(C1)N2.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is CAVFVAZSRIVWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c17-12-2-5-15-11(9-12)1-6-16(15)19-8-7-13-3-4-14(10-19)18-13/h2,5,9,13-14,16,18H,1,3-4,6-8,10H2.
What are the key properties of 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane?
3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 260.36 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 116531514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).