2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine

C12H15F2N — CID 117301641

IUPAC2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
SMILESCc1cc(F)c(C2(C)CCCN2)cc1F
InChIInChI=1S/C12H15F2N/c1-8-6-11(14)9(7-10(8)13)12(2)4-3-5-15-12/h6-7,15H,3-5H2,1-2H3
InChIKeyFUNCSVZZSQTDNE-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.87
Rot. Bonds1

About 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine

2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine (PubChem CID 117301641) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
PubChem CID117301641
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
SMILESCc1cc(F)c(C2(C)CCCN2)cc1F
InChIInChI=1S/C12H15F2N/c1-8-6-11(14)9(7-10(8)13)12(2)4-3-5-15-12/h6-7,15H,3-5H2,1-2H3
InChIKeyFUNCSVZZSQTDNE-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
CID 117303885
2-(4-bromo-2,3,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116947
2-(3-bromo-2,4,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116949
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine
CID 117351178
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine
CID 117432844
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
CID 117361379
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine (CID 117301641) is 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine is Cc1cc(F)c(C2(C)CCCN2)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine?
The InChIKey is FUNCSVZZSQTDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8-6-11(14)9(7-10(8)13)12(2)4-3-5-15-12/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine?
2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine has a molecular weight of 211.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117301641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).