(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine

C13H15F2NO — CID 66519564

IUPAC(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
SMILESFc1cc([C@H]2CCCN2)c2c(c1F)OCCC2
InChIInChI=1S/C13H15F2NO/c14-10-7-9(11-4-1-5-16-11)8-3-2-6-17-13(8)12(10)15/h7,11,16H,1-6H2/t11-/m1/s1
InChIKeySDEGMBQTRWMSSZ-LLVKDONJSA-N
MW239.26 g/mol
LogP2.71
Rot. Bonds1

About (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine

(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine (PubChem CID 66519564) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
PubChem CID66519564
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
SMILESFc1cc([C@H]2CCCN2)c2c(c1F)OCCC2
InChIInChI=1S/C13H15F2NO/c14-10-7-9(11-4-1-5-16-11)8-3-2-6-17-13(8)12(10)15/h7,11,16H,1-6H2/t11-/m1/s1
InChIKeySDEGMBQTRWMSSZ-LLVKDONJSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine?
The IUPAC name of (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine (CID 66519564) is (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine.
What is the SMILES notation for (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine?
The canonical SMILES for (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine is Fc1cc([C@H]2CCCN2)c2c(c1F)OCCC2.
What is the InChIKey of (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine?
The InChIKey is SDEGMBQTRWMSSZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-10-7-9(11-4-1-5-16-11)8-3-2-6-17-13(8)12(10)15/h7,11,16H,1-6H2/t11-/m1/s1.
What are the key properties of (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine?
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine has a molecular weight of 239.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine is sourced from PubChem (CID 66519564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).