(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole

C14H19FN2 — CID 169244473

IUPAC(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
SMILESCN1CCC[C@@H]1C[C@@H]1CNc2ccc(F)cc21
InChIInChI=1S/C14H19FN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3/t10-,12-/m1/s1
InChIKeyDVLCDQAQAXRJGI-ZYHUDNBSSA-N
MW234.32 g/mol
LogP2.82
Rot. Bonds2

About (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole

(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole (PubChem CID 169244473) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
PubChem CID169244473
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
SMILESCN1CCC[C@@H]1C[C@@H]1CNc2ccc(F)cc21
InChIInChI=1S/C14H19FN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3/t10-,12-/m1/s1
InChIKeyDVLCDQAQAXRJGI-ZYHUDNBSSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole?
The IUPAC name of (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole (CID 169244473) is (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole is CN1CCC[C@@H]1C[C@@H]1CNc2ccc(F)cc21.
What is the InChIKey of (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole?
The InChIKey is DVLCDQAQAXRJGI-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H19FN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole?
(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole has a molecular weight of 234.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 169244473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).