(2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone

C13H15F2NO — CID 116572685

IUPAC(2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2CNCC2C)c1F
InChIInChI=1S/C13H15F2NO/c1-7-3-4-10(14)11(12(7)15)13(17)9-6-16-5-8(9)2/h3-4,8-9,16H,5-6H2,1-2H3
InChIKeyVQKVYLYXTQMXRK-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.31
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone

(2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 116572685) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone
PubChem CID116572685
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2CNCC2C)c1F
InChIInChI=1S/C13H15F2NO/c1-7-3-4-10(14)11(12(7)15)13(17)9-6-16-5-8(9)2/h3-4,8-9,16H,5-6H2,1-2H3
InChIKeyVQKVYLYXTQMXRK-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpyrrolidin-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 116572633
(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572516
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 82823016
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116587316
(4-tert-butylphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572660
azetidin-3-yl-(3-bromo-2,6-difluorophenyl)methanone
CID 106944077
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105124411
(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 82796890
N-ethyl-2,6-difluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 82816613
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone (CID 116572685) is (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone is Cc1ccc(F)c(C(=O)C2CNCC2C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is VQKVYLYXTQMXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-7-3-4-10(14)11(12(7)15)13(17)9-6-16-5-8(9)2/h3-4,8-9,16H,5-6H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 239.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116572685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).