1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C9H10Cl2FNO3 — CID 115731724

IUPAC1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(C1CC1(Cl)Cl)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C9H10Cl2FNO3/c10-9(11)3-5(9)6(14)13-2-1-8(12,4-13)7(15)16/h5H,1-4H2,(H,15,16)
InChIKeyCFOKHVLIAZSHEP-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.21
Rot. Bonds2

About 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 115731724) has the molecular formula C9H10Cl2FNO3 and a molecular weight of 270.09 g/mol. Its IUPAC name is 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID115731724
Molecular FormulaC9H10Cl2FNO3
Molecular Weight270.09 g/mol
Exact Mass269.00
IUPAC Name1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(C1CC1(Cl)Cl)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C9H10Cl2FNO3/c10-9(11)3-5(9)6(14)13-2-1-8(12,4-13)7(15)16/h5H,1-4H2,(H,15,16)
InChIKeyCFOKHVLIAZSHEP-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1-(2-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 122129365
3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731713
3-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258340
(2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561130
3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258190
3-fluoro-1-[(Z)-2-methylpent-2-enoyl]pyrrolidine-3-carboxylic acid
CID 115731688
1-(2-chloro-4,5-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 120529626
1-[2-(2-chlorophenyl)sulfanylpropanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258110
1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 120529560
3-fluoro-1-(3-phenylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119259342
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 147863064
1-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258507

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 115731724) is 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid is O=C(C1CC1(Cl)Cl)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is CFOKHVLIAZSHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FNO3/c10-9(11)3-5(9)6(14)13-2-1-8(12,4-13)7(15)16/h5H,1-4H2,(H,15,16).
What are the key properties of 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 270.09 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichlorocyclopropanecarbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115731724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).