2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine

C12H15F2N — CID 117301581

IUPAC2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2CCCN2)c(F)c1F
InChIInChI=1S/C12H15F2N/c1-8-4-5-9(12(14)11(8)13)7-10-3-2-6-15-10/h4-5,10,15H,2-3,6-7H2,1H3
InChIKeyAVCQYPYQWZFOAW-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.57
Rot. Bonds2

About 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine

2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine (PubChem CID 117301581) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
PubChem CID117301581
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
SMILESCc1ccc(CC2CCCN2)c(F)c1F
InChIInChI=1S/C12H15F2N/c1-8-4-5-9(12(14)11(8)13)7-10-3-2-6-15-10/h4-5,10,15H,2-3,6-7H2,1H3
InChIKeyAVCQYPYQWZFOAW-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559
2-[(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 117371669
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine (CID 117301581) is 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine is Cc1ccc(CC2CCCN2)c(F)c1F.
What is the InChIKey of 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine?
The InChIKey is AVCQYPYQWZFOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8-4-5-9(12(14)11(8)13)7-10-3-2-6-15-10/h4-5,10,15H,2-3,6-7H2,1H3.
What are the key properties of 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine?
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine has a molecular weight of 211.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117301581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).