(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone

C13H15F2NO — CID 107514916

IUPAC(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCc1ccc(C(=O)C2(C)CCCN2)c(F)c1F
InChIInChI=1S/C13H15F2NO/c1-8-4-5-9(11(15)10(8)14)12(17)13(2)6-3-7-16-13/h4-5,16H,3,6-7H2,1-2H3
InChIKeyRQAZTEFMFSTDLR-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.60
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone

(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 107514916) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID107514916
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCc1ccc(C(=O)C2(C)CCCN2)c(F)c1F
InChIInChI=1S/C13H15F2NO/c1-8-4-5-9(11(15)10(8)14)12(17)13(2)6-3-7-16-13/h4-5,16H,3,6-7H2,1-2H3
InChIKeyRQAZTEFMFSTDLR-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 106764011
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 103434862
(2,3-difluoro-4-methylphenyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 107515000
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614148
(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 116614015
(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580596
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
2,3-dihydro-1-benzofuran-7-yl-(2-methylpyrrolidin-2-yl)methanone
CID 114747925

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone (CID 107514916) is (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone is Cc1ccc(C(=O)C2(C)CCCN2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is RQAZTEFMFSTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-8-4-5-9(11(15)10(8)14)12(17)13(2)6-3-7-16-13/h4-5,16H,3,6-7H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone?
(2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 239.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 107514916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).