5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole

C13H15FN2 — CID 96783850

IUPAC5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
SMILESFc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
InChIInChI=1S/C13H15FN2/c14-10-3-4-13-12(7-10)9(8-16-13)6-11-2-1-5-15-11/h3-4,7-8,11,15-16H,1-2,5-6H2/t11-/m1/s1
InChIKeyWLUNPDCMUWDXBU-LLVKDONJSA-N
MW218.28 g/mol
LogP2.60
Rot. Bonds2

About 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole

5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 96783850) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID96783850
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
SMILESFc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
InChIInChI=1S/C13H15FN2/c14-10-3-4-13-12(7-10)9(8-16-13)6-11-2-1-5-15-11/h3-4,7-8,11,15-16H,1-2,5-6H2/t11-/m1/s1
InChIKeyWLUNPDCMUWDXBU-LLVKDONJSA-N
XLogP2.60
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole-5-carbonitrile
CID 54191392
2-[(5-fluoro-1H-indol-3-yl)methyl]cyclohexan-1-one
CID 84631904
5-(2-ethylsulfonylethyl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 22873790
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
CID 145138522
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
2-(5-fluoro-1H-indol-3-yl)-1-[4-[[4-[[(2S)-pyrrolidin-2-yl]methylamino]butylamino]methyl]piperidin-1-yl]ethanone
CID 139906828
3-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
CID 67247276
N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
CID 117174955
4-benzyl-2-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-1,3-thiazole
CID 19702143
1-[3-(pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 70068348
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole (CID 96783850) is 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole is Fc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1.
What is the InChIKey of 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is WLUNPDCMUWDXBU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15FN2/c14-10-3-4-13-12(7-10)9(8-16-13)6-11-2-1-5-15-11/h3-4,7-8,11,15-16H,1-2,5-6H2/t11-/m1/s1.
What are the key properties of 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole?
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 218.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 96783850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).