1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid

C11H15F3N2O3 — CID 63721864

IUPAC1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(2-3-15-6-10)9(19)16-4-1-7(5-16)8(17)18/h7,15H,1-6H2,(H,17,18)
InChIKeyQXCMJLHIKNOYFM-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.46
Rot. Bonds2

About 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid

1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 63721864) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID63721864
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(2-3-15-6-10)9(19)16-4-1-7(5-16)8(17)18/h7,15H,1-6H2,(H,17,18)
InChIKeyQXCMJLHIKNOYFM-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 63721864) is 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QXCMJLHIKNOYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)10(2-3-15-6-10)9(19)16-4-1-7(5-16)8(17)18/h7,15H,1-6H2,(H,17,18).
What are the key properties of 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid?
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 280.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).