2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine

C11H12ClF2NO — CID 84706284

IUPAC2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(C2CCCN2)cc(F)c(Cl)c1F
InChIInChI=1S/C11H12ClF2NO/c1-16-11-6(8-3-2-4-15-8)5-7(13)9(12)10(11)14/h5,8,15H,2-4H2,1H3
InChIKeyIOPDORQREINFDJ-UHFFFAOYSA-N
MW247.67 g/mol
LogP3.05
Rot. Bonds2

About 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine

2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine (PubChem CID 84706284) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
PubChem CID84706284
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(C2CCCN2)cc(F)c(Cl)c1F
InChIInChI=1S/C11H12ClF2NO/c1-16-11-6(8-3-2-4-15-8)5-7(13)9(12)10(11)14/h5,8,15H,2-4H2,1H3
InChIKeyIOPDORQREINFDJ-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
CID 117403491
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117403489
2-(5-chloro-2,3-difluoro-4-methoxyphenyl)piperidine
CID 117409054
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117418762
2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117355654
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117387937
2-fluoro-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117354943

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine (CID 84706284) is 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine is COc1c(C2CCCN2)cc(F)c(Cl)c1F.
What is the InChIKey of 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine?
The InChIKey is IOPDORQREINFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-16-11-6(8-3-2-4-15-8)5-7(13)9(12)10(11)14/h5,8,15H,2-4H2,1H3.
What are the key properties of 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine?
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine has a molecular weight of 247.67 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 84706284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).