2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine

C12H15F2N — CID 117301634

IUPAC2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
SMILESCC1(c2cccc(F)c2CF)CCCN1
InChIInChI=1S/C12H15F2N/c1-12(6-3-7-15-12)10-4-2-5-11(14)9(10)8-13/h2,4-5,15H,3,6-8H2,1H3
InChIKeyAHQFAJZRNBMUIS-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.89
Rot. Bonds2

About 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine

2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine (PubChem CID 117301634) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
PubChem CID117301634
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
SMILESCC1(c2cccc(F)c2CF)CCCN1
InChIInChI=1S/C12H15F2N/c1-12(6-3-7-15-12)10-4-2-5-11(14)9(10)8-13/h2,4-5,15H,3,6-8H2,1H3
InChIKeyAHQFAJZRNBMUIS-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
CID 117320275
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117355185
2-(2-bromophenyl)-2-methylpyrrolidine
CID 82621906
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346
4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol
CID 117298982
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
CID 117335369
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine (CID 117301634) is 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine is CC1(c2cccc(F)c2CF)CCCN1.
What is the InChIKey of 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine?
The InChIKey is AHQFAJZRNBMUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-12(6-3-7-15-12)10-4-2-5-11(14)9(10)8-13/h2,4-5,15H,3,6-8H2,1H3.
What are the key properties of 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine?
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine has a molecular weight of 211.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117301634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).