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

C15H19FN2 — CID 178091616

IUPAC4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C)[nH]c2cccc(F)c12
InChIInChI=1S/C15H19FN2/c1-10-12(9-11-5-4-8-18(11)2)15-13(16)6-3-7-14(15)17-10/h3,6-7,11,17H,4-5,8-9H2,1-2H3/t11-/m1/s1/i2D3
InChIKeyNRECPDQZKDKEDK-BINOJTDESA-N
MW249.35 g/mol
LogP3.25
Rot. Bonds3

About 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole

4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 178091616) has the molecular formula C15H19FN2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID178091616
Molecular FormulaC15H19FN2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C)[nH]c2cccc(F)c12
InChIInChI=1S/C15H19FN2/c1-10-12(9-11-5-4-8-18(11)2)15-13(16)6-3-7-14(15)17-10/h3,6-7,11,17H,4-5,8-9H2,1-2H3/t11-/m1/s1/i2D3
InChIKeyNRECPDQZKDKEDK-BINOJTDESA-N
XLogP3.25
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 178091616) is 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is [2H]C([2H])([2H])N1CCC[C@@H]1Cc1c(C)[nH]c2cccc(F)c12.
What is the InChIKey of 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is NRECPDQZKDKEDK-BINOJTDESA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-12(9-11-5-4-8-18(11)2)15-13(16)6-3-7-14(15)17-10/h3,6-7,11,17H,4-5,8-9H2,1-2H3/t11-/m1/s1/i2D3.
What are the key properties of 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 249.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 178091616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).