(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine

C13H16FNO — CID 66519309

IUPAC(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
SMILESFc1cc([C@@H]2CCCN2)cc2c1OCCC2
InChIInChI=1S/C13H16FNO/c14-11-8-10(12-4-1-5-15-12)7-9-3-2-6-16-13(9)11/h7-8,12,15H,1-6H2/t12-/m0/s1
InChIKeyNNUUOVSRKAPQDR-LBPRGKRZSA-N
MW221.27 g/mol
LogP2.58
Rot. Bonds1

About (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine

(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine (PubChem CID 66519309) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
PubChem CID66519309
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
SMILESFc1cc([C@@H]2CCCN2)cc2c1OCCC2
InChIInChI=1S/C13H16FNO/c14-11-8-10(12-4-1-5-15-12)7-9-3-2-6-16-13(9)11/h7-8,12,15H,1-6H2/t12-/m0/s1
InChIKeyNNUUOVSRKAPQDR-LBPRGKRZSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(5-fluoro-3,4-dihydro-2H-chromen-7-yl)pyrrolidine
CID 66519323
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117319502
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519589
5-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 66518742
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564
(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
CID 66518877
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519325
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 84711652
(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine
CID 130708733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
The IUPAC name of (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine (CID 66519309) is (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine is Fc1cc([C@@H]2CCCN2)cc2c1OCCC2.
What is the InChIKey of (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
The InChIKey is NNUUOVSRKAPQDR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-8-10(12-4-1-5-15-12)7-9-3-2-6-16-13(9)11/h7-8,12,15H,1-6H2/t12-/m0/s1.
What are the key properties of (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine?
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine has a molecular weight of 221.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine is sourced from PubChem (CID 66519309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).