2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine

C17H17BrF3NO — CID 162046061

IUPAC2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(F)cc1[C@H]1CCCN1.Fc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14FNO.C6H3BrF2/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10;7-5-3-4(8)1-2-6(5)9/h4-5,7,10,13H,2-3,6H2,1H3;1-3H/t10-;/m1./s1
InChIKeyYXXARMGJDQPEIB-HNCPQSOCSA-N
MW388.23 g/mol
LogP4.99
Rot. Bonds2

About 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine

2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine (PubChem CID 162046061) has the molecular formula C17H17BrF3NO and a molecular weight of 388.23 g/mol. Its IUPAC name is 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
PubChem CID162046061
Molecular FormulaC17H17BrF3NO
Molecular Weight388.23 g/mol
Exact Mass387.04
IUPAC Name2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(F)cc1[C@H]1CCCN1.Fc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14FNO.C6H3BrF2/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10;7-5-3-4(8)1-2-6(5)9/h4-5,7,10,13H,2-3,6H2,1H3;1-3H/t10-;/m1./s1
InChIKeyYXXARMGJDQPEIB-HNCPQSOCSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
CID 174947937
CID 174947937
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine (CID 162046061) is 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine is COc1ccc(F)cc1[C@H]1CCCN1.Fc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
The InChIKey is YXXARMGJDQPEIB-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14FNO.C6H3BrF2/c1-14-11-5-4-8(12)7-9(11)10-3-2-6-13-10;7-5-3-4(8)1-2-6(5)9/h4-5,7,10,13H,2-3,6H2,1H3;1-3H/t10-;/m1./s1.
What are the key properties of 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine?
2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine has a molecular weight of 388.23 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 162046061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).