3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid

C15H17F2NO3 — CID 119259477

IUPAC3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C(=O)N1CCC(F)(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C15H17F2NO3/c1-14(2,10-3-5-11(16)6-4-10)12(19)18-8-7-15(17,9-18)13(20)21/h3-6H,7-9H2,1-2H3,(H,20,21)
InChIKeyJFQWWQICFQCETB-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.13
Rot. Bonds3

About 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119259477) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119259477
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C(=O)N1CCC(F)(C(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C15H17F2NO3/c1-14(2,10-3-5-11(16)6-4-10)12(19)18-8-7-15(17,9-18)13(20)21/h3-6H,7-9H2,1-2H3,(H,20,21)
InChIKeyJFQWWQICFQCETB-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propanoyl]pyrrolidine-3-carboxylic acid
CID 119259263
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 120814958
1-[2-(4-aminophenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 80555695
1-[2-(4-bromophenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256562
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119257975
1-(4-ethylpiperazin-1-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 113197344
(3R)-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124685750
3-fluoro-1-[(E)-4-(4-fluorophenyl)but-3-enoyl]pyrrolidine-3-carboxylic acid
CID 119258382
3-ethyl-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63146380
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168579
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid (CID 119259477) is 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid is CC(C)(C(=O)N1CCC(F)(C(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JFQWWQICFQCETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-14(2,10-3-5-11(16)6-4-10)12(19)18-8-7-15(17,9-18)13(20)21/h3-6H,7-9H2,1-2H3,(H,20,21).
What are the key properties of 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 297.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).