1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one

C14H17F2NO2 — CID 103356850

IUPAC1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)N1CCC(C)(O)C1
InChIInChI=1S/C14H17F2NO2/c1-9(17-6-5-14(2,19)8-17)13(18)10-3-4-11(15)12(16)7-10/h3-4,7,9,19H,5-6,8H2,1-2H3
InChIKeyGSFQJECZLLILKI-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.99
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one

1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 103356850) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
PubChem CID103356850
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)N1CCC(C)(O)C1
InChIInChI=1S/C14H17F2NO2/c1-9(17-6-5-14(2,19)8-17)13(18)10-3-4-11(15)12(16)7-10/h3-4,7,9,19H,5-6,8H2,1-2H3
InChIKeyGSFQJECZLLILKI-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one 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

1-(3,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 62930219
1-(4-bromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103356794
1-(3,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797080
4-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]piperazine-2,6-dione
CID 66084368
1-(3,4-difluorophenyl)-2-(1,4-oxazepan-4-yl)propan-1-one
CID 55153345
1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 104959387
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355524
1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871361
1-(4-bromophenyl)-2-(4-hydroxy-4-methylazepan-1-yl)propan-1-one
CID 107405309
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propan-1-one
CID 81464671
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81098789
1-(3,4-difluorophenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405385

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one (CID 103356850) is 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is CC(C(=O)c1ccc(F)c(F)c1)N1CCC(C)(O)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is GSFQJECZLLILKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-9(17-6-5-14(2,19)8-17)13(18)10-3-4-11(15)12(16)7-10/h3-4,7,9,19H,5-6,8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one?
1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 269.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 103356850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).