2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine

C12H15F2N — CID 82923443

IUPAC2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2ccc(F)c(F)c2)CCCN1
InChIInChI=1S/C12H15F2N/c1-12(5-2-6-15-12)8-9-3-4-10(13)11(14)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyHRJWUXSEYPZJFN-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.65
Rot. Bonds2

About 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine

2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine (PubChem CID 82923443) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
PubChem CID82923443
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2ccc(F)c(F)c2)CCCN1
InChIInChI=1S/C12H15F2N/c1-12(5-2-6-15-12)8-9-3-4-10(13)11(14)7-9/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyHRJWUXSEYPZJFN-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 124575827
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 104688068
(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 124570451
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
CID 122156828
2-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398141
4-[(2-methylpyrrolidin-2-yl)methyl]pyridine
CID 66465987
(2S)-2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine
CID 124515557
2-[(2,3-difluorophenyl)methyl]-2-methylpyrrolidine
CID 66466439
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058979

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine (CID 82923443) is 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine is CC1(Cc2ccc(F)c(F)c2)CCCN1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine?
The InChIKey is HRJWUXSEYPZJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-12(5-2-6-15-12)8-9-3-4-10(13)11(14)7-9/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine?
2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine has a molecular weight of 211.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 82923443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).