(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone

C13H15F2NO — CID 79036846

IUPAC(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cccc(F)c2F)C1
InChIInChI=1S/C13H15F2NO/c1-13(2)6-7-16(8-13)12(17)9-4-3-5-10(14)11(9)15/h3-5H,6-8H2,1-2H3
InChIKeyFQZCPTBZSQMMTL-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.84
Rot. Bonds1

About (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone

(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 79036846) has the molecular formula C13H15F2NO and a molecular weight of 239.27 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID79036846
Molecular FormulaC13H15F2NO
Molecular Weight239.27 g/mol
Exact Mass239.11
IUPAC Name(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cccc(F)c2F)C1
InChIInChI=1S/C13H15F2NO/c1-13(2)6-7-16(8-13)12(17)9-4-3-5-10(14)11(9)15/h3-5H,6-8H2,1-2H3
InChIKeyFQZCPTBZSQMMTL-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
(3,3-dimethylpyrrolidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79885630
(4,4-dimethylazepan-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711269
(3-bromo-2-fluorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107952535
(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 70744529
(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62662160
(2-bromo-4-fluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036772
1-(3-fluoro-2-methylbenzoyl)-3-methoxypyrrolidine-3-carboxylic acid
CID 136556548
(3,3-dimethylpyrrolidin-1-yl)-(3-hydrazinyl-2-nitrophenyl)methanone
CID 115549690
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872512

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (CID 79036846) is (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCN(C(=O)c2cccc(F)c2F)C1.
What is the InChIKey of (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is FQZCPTBZSQMMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-13(2)6-7-16(8-13)12(17)9-4-3-5-10(14)11(9)15/h3-5H,6-8H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 239.27 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79036846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).