3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one

C13H16F2N2O — CID 109013409

IUPAC3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNc1c(F)cccc1F)N1CCCC1
InChIInChI=1S/C13H16F2N2O/c14-10-4-3-5-11(15)13(10)16-7-6-12(18)17-8-1-2-9-17/h3-5,16H,1-2,6-9H2
InChIKeyNPTFVFJWGGKWAY-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.39
Rot. Bonds4

About 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one

3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 109013409) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID109013409
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNc1c(F)cccc1F)N1CCCC1
InChIInChI=1S/C13H16F2N2O/c14-10-4-3-5-11(15)13(10)16-7-6-12(18)17-8-1-2-9-17/h3-5,16H,1-2,6-9H2
InChIKeyNPTFVFJWGGKWAY-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
2-(2-fluoro-6-methylanilino)-1-piperidin-1-ylethanone
CID 115909087
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
2-(2-chloro-6-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157049
3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017345
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103915795
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013836
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450
methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 109013882

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one (CID 109013409) is 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNc1c(F)cccc1F)N1CCCC1.
What is the InChIKey of 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NPTFVFJWGGKWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-10-4-3-5-11(15)13(10)16-7-6-12(18)17-8-1-2-9-17/h3-5,16H,1-2,6-9H2.
What are the key properties of 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one?
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 254.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 109013409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).