3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid

C11H16F3NO3 — CID 63144798

IUPAC3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-2-3-10(9(17)18)4-5-15(7-10)8(16)6-11(12,13)14/h2-7H2,1H3,(H,17,18)
InChIKeyUIOYNZBRMABBPO-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds4

About 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid

3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63144798) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID63144798
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c1-2-3-10(9(17)18)4-5-15(7-10)8(16)6-11(12,13)14/h2-7H2,1H3,(H,17,18)
InChIKeyUIOYNZBRMABBPO-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid (CID 63144798) is 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UIOYNZBRMABBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-2-3-10(9(17)18)4-5-15(7-10)8(16)6-11(12,13)14/h2-7H2,1H3,(H,17,18).
What are the key properties of 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid?
3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).