1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2,3-difluorophenyl)-3-methoxypyrrolidine

2.1.2 InChI

InChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3

2.1.3 InChI Key

LJNFYMMXCXGFCP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1(CCNC1)C2=C(C(=CC=C2)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl2421535

2. (+)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine

3. (-)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine

2.3 Create Date

2010-07-06

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃F₂NO
Molecular Weight	213.22 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	213.09652036 g/mol
Monoisotopic Mass	213.09652036 g/mol
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

IRL752