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

C11H13F2NO — CID 77131566

IUPAC2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
SMILESCOc1c(F)cc(C2CCCN2)cc1F
InChIInChI=1S/C11H13F2NO/c1-15-11-8(12)5-7(6-9(11)13)10-3-2-4-14-10/h5-6,10,14H,2-4H2,1H3
InChIKeyCYCMSCJOSLPTKW-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.40
Rot. Bonds2

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

2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine (PubChem CID 77131566) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
PubChem CID77131566
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
SMILESCOc1c(F)cc(C2CCCN2)cc1F
InChIInChI=1S/C11H13F2NO/c1-15-11-8(12)5-7(6-9(11)13)10-3-2-4-14-10/h5-6,10,14H,2-4H2,1H3
InChIKeyCYCMSCJOSLPTKW-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
CID 131358748
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117403489
2-(3-bromo-4-methoxy-5-methylsulfanylphenyl)pyrrolidine
CID 117486891
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
CID 176965942
CID 176965942
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463655

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine (CID 77131566) is 2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine is COc1c(F)cc(C2CCCN2)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine?
The InChIKey is CYCMSCJOSLPTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-11-8(12)5-7(6-9(11)13)10-3-2-4-14-10/h5-6,10,14H,2-4H2,1H3.
What are the key properties of 2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine?
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine has a molecular weight of 213.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 77131566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).