(3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine

C16H22FN — CID 164603562

IUPAC(3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESCCCC1c2ccccc2C[C@H]1N1CC[C@H](F)C1
InChIInChI=1S/C16H22FN/c1-2-5-15-14-7-4-3-6-12(14)10-16(15)18-9-8-13(17)11-18/h3-4,6-7,13,15-16H,2,5,8-11H2,1H3/t13-,15?,16+/m0/s1
InChIKeyZMURGOUWTUJCQB-ZNZOUBGRSA-N
MW247.36 g/mol
LogP3.54
Rot. Bonds3

About (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine

(3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (PubChem CID 164603562) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
PubChem CID164603562
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name(3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESCCCC1c2ccccc2C[C@H]1N1CC[C@H](F)C1
InChIInChI=1S/C16H22FN/c1-2-5-15-14-7-4-3-6-12(14)10-16(15)18-9-8-13(17)11-18/h3-4,6-7,13,15-16H,2,5,8-11H2,1H3/t13-,15?,16+/m0/s1
InChIKeyZMURGOUWTUJCQB-ZNZOUBGRSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dimefadane
CID 21760
2-Fluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (24)
CID 129012324
2,4-Difluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (27)
CID 129012327
2-Di-n-propylaminoindan
CID 130402
Dimefadane hydrochloride
CID 517910
1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidine
CID 22273743
[3-(3,4-Difluoro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543785
[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543854
N-buta-2,3-dienyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 44265559
3-(9H-fluoren-9-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 44405845
3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260254
6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260285

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The IUPAC name of (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (CID 164603562) is (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The canonical SMILES for (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is CCCC1c2ccccc2C[C@H]1N1CC[C@H](F)C1.
What is the InChIKey of (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The InChIKey is ZMURGOUWTUJCQB-ZNZOUBGRSA-N. The full InChI is InChI=1S/C16H22FN/c1-2-5-15-14-7-4-3-6-12(14)10-16(15)18-9-8-13(17)11-18/h3-4,6-7,13,15-16H,2,5,8-11H2,1H3/t13-,15?,16+/m0/s1.
What are the key properties of (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
(3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine has a molecular weight of 247.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-[(2R)-1-propyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is sourced from PubChem (CID 164603562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).