4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid

C11H17F2NO4 — CID 21076049

IUPAC4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid
SMILESCCC(F)(F)CCC1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C11H17F2NO4/c1-2-11(12,13)4-3-7-5-8(9(15)16)14(6-7)10(17)18/h7-8H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyFVACXBRZQXVSHK-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.27
Rot. Bonds5

About 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid

4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 21076049) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid
PubChem CID21076049
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Name4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid
SMILESCCC(F)(F)CCC1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C11H17F2NO4/c1-2-11(12,13)4-3-7-5-8(9(15)16)14(6-7)10(17)18/h7-8H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyFVACXBRZQXVSHK-UHFFFAOYSA-N
XLogP2.27
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid (CID 21076049) is 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid is CCC(F)(F)CCC1CC(C(=O)O)N(C(=O)O)C1.
What is the InChIKey of 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is FVACXBRZQXVSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO4/c1-2-11(12,13)4-3-7-5-8(9(15)16)14(6-7)10(17)18/h7-8H,2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid?
4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropentyl)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 21076049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).