(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine

C13H16FN — CID 66519043

IUPAC(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine
SMILESFc1cc2c(c([C@@H]3CCCN3)c1)CCC2
InChIInChI=1S/C13H16FN/c14-10-7-9-3-1-4-11(9)12(8-10)13-5-2-6-15-13/h7-8,13,15H,1-6H2/t13-/m0/s1
InChIKeySDNHYVJKFGKFOK-ZDUSSCGKSA-N
MW205.28 g/mol
LogP2.74
Rot. Bonds1

About (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine

(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine (PubChem CID 66519043) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine
PubChem CID66519043
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine
SMILESFc1cc2c(c([C@@H]3CCCN3)c1)CCC2
InChIInChI=1S/C13H16FN/c14-10-7-9-3-1-4-11(9)12(8-10)13-5-2-6-15-13/h7-8,13,15H,1-6H2/t13-/m0/s1
InChIKeySDNHYVJKFGKFOK-ZDUSSCGKSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
CID 174947937
CID 174947937
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperidine
CID 117338941
(2R)-2-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519430
2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 84711652
(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519431
(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine
CID 66519369
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine?
The IUPAC name of (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine (CID 66519043) is (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine is Fc1cc2c(c([C@@H]3CCCN3)c1)CCC2.
What is the InChIKey of (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine?
The InChIKey is SDNHYVJKFGKFOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16FN/c14-10-7-9-3-1-4-11(9)12(8-10)13-5-2-6-15-13/h7-8,13,15H,1-6H2/t13-/m0/s1.
What are the key properties of (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine?
(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine has a molecular weight of 205.28 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine is sourced from PubChem (CID 66519043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).