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

C11H14ClF2NO — CID 146049321

IUPAC2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1cc(C2CCCN2)cc(F)c1F.Cl
InChIInChI=1S/C11H13F2NO.ClH/c1-15-10-6-7(5-8(12)11(10)13)9-3-2-4-14-9;/h5-6,9,14H,2-4H2,1H3;1H
InChIKeyNVUOTRQLGWGZEY-UHFFFAOYSA-N
MW249.69 g/mol
LogP2.82
Rot. Bonds2

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

2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride (PubChem CID 146049321) has the molecular formula C11H14ClF2NO and a molecular weight of 249.69 g/mol. Its IUPAC name is 2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
PubChem CID146049321
Molecular FormulaC11H14ClF2NO
Molecular Weight249.69 g/mol
Exact Mass249.07
IUPAC Name2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1cc(C2CCCN2)cc(F)c1F.Cl
InChIInChI=1S/C11H13F2NO.ClH/c1-15-10-6-7(5-8(12)11(10)13)9-3-2-4-14-9;/h5-6,9,14H,2-4H2,1H3;1H
InChIKeyNVUOTRQLGWGZEY-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234
CID 176965942
CID 176965942
3-(3,4-difluoro-5-methoxyphenyl)morpholine
CID 84792610
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463655
(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117359415
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride (CID 146049321) is 2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride is COc1cc(C2CCCN2)cc(F)c1F.Cl.
What is the InChIKey of 2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride?
The InChIKey is NVUOTRQLGWGZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO.ClH/c1-15-10-6-7(5-8(12)11(10)13)9-3-2-4-14-9;/h5-6,9,14H,2-4H2,1H3;1H.
What are the key properties of 2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride?
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride has a molecular weight of 249.69 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 146049321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).