1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid

C10H15F2NO3 — CID 106977115

IUPAC1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C(F)F
InChIInChI=1S/C10H15F2NO3/c1-2-4-10(9(15)16)5-3-6-13(10)8(14)7(11)12/h7H,2-6H2,1H3,(H,15,16)
InChIKeyMOQLZXJLOFSVPP-UHFFFAOYSA-N
MW235.23 g/mol
LogP1.50
Rot. Bonds4

About 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid

1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977115) has the molecular formula C10H15F2NO3 and a molecular weight of 235.23 g/mol. Its IUPAC name is 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977115
Molecular FormulaC10H15F2NO3
Molecular Weight235.23 g/mol
Exact Mass235.10
IUPAC Name1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C(F)F
InChIInChI=1S/C10H15F2NO3/c1-2-4-10(9(15)16)5-3-6-13(10)8(14)7(11)12/h7H,2-6H2,1H3,(H,15,16)
InChIKeyMOQLZXJLOFSVPP-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976004
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 4205688
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977101
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978648
1-(3-propoxypropanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977335
1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978225

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977115) is 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)C(F)F.
What is the InChIKey of 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is MOQLZXJLOFSVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO3/c1-2-4-10(9(15)16)5-3-6-13(10)8(14)7(11)12/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 235.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).