(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine

C13H16FNO — CID 66519325

IUPAC(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
SMILESFc1ccc([C@@H]2CCCN2)c2c1OCCC2
InChIInChI=1S/C13H16FNO/c14-11-6-5-9(12-4-1-7-15-12)10-3-2-8-16-13(10)11/h5-6,12,15H,1-4,7-8H2/t12-/m0/s1
InChIKeyFIEWUXLOVQSPHS-LBPRGKRZSA-N
MW221.27 g/mol
LogP2.58
Rot. Bonds1

About (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine

(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine (PubChem CID 66519325) 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-5-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
PubChem CID66519325
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
SMILESFc1ccc([C@@H]2CCCN2)c2c1OCCC2
InChIInChI=1S/C13H16FNO/c14-11-6-5-9(12-4-1-7-15-12)10-3-2-8-16-13(10)11/h5-6,12,15H,1-4,7-8H2/t12-/m0/s1
InChIKeyFIEWUXLOVQSPHS-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

(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine
CID 117319500
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
CID 117381261
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519589
(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130639912
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidine
CID 117346616
(2S)-2-(5-fluoro-3,4-dihydro-2H-chromen-7-yl)pyrrolidine
CID 66519323
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519309
(2S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)azetidine
CID 130718409
(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine
CID 131172256
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine?
The IUPAC name of (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine (CID 66519325) is (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine is Fc1ccc([C@@H]2CCCN2)c2c1OCCC2.
What is the InChIKey of (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine?
The InChIKey is FIEWUXLOVQSPHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-6-5-9(12-4-1-7-15-12)10-3-2-8-16-13(10)11/h5-6,12,15H,1-4,7-8H2/t12-/m0/s1.
What are the key properties of (2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine?
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-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-5-yl)pyrrolidine is sourced from PubChem (CID 66519325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).