3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine

C12H15F2NO — CID 115035973

IUPAC3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cccc(C2(C)NCCC2(F)F)c1
InChIInChI=1S/C12H15F2NO/c1-11(12(13,14)6-7-15-11)9-4-3-5-10(8-9)16-2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyAIGIQHPEDPDHNA-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.54
Rot. Bonds2

About 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine

3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 115035973) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
PubChem CID115035973
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1cccc(C2(C)NCCC2(F)F)c1
InChIInChI=1S/C12H15F2NO/c1-11(12(13,14)6-7-15-11)9-4-3-5-10(8-9)16-2/h3-5,8,15H,6-7H2,1-2H3
InChIKeyAIGIQHPEDPDHNA-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115037049
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride
CID 115049370
2-(3-methoxyphenyl)-2-propylazetidine
CID 115058563
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 115034038
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
5-(3-methoxyphenyl)-5-phenyl-1,2-oxazolidine
CID 10634765
3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine
CID 10465882

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine (CID 115035973) is 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine is COc1cccc(C2(C)NCCC2(F)F)c1.
What is the InChIKey of 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is AIGIQHPEDPDHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-11(12(13,14)6-7-15-11)9-4-3-5-10(8-9)16-2/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine?
3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine has a molecular weight of 227.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 115035973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).