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

C8H10F3NO3 — CID 63006751

IUPAC1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)3-6(13)12-2-1-5(4-12)7(14)15/h5H,1-4H2,(H,14,15)
InChIKeyJAFRAPUTPDJJCI-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.87
Rot. Bonds2

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

1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63006751) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID63006751
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)3-6(13)12-2-1-5(4-12)7(14)15/h5H,1-4H2,(H,14,15)
InChIKeyJAFRAPUTPDJJCI-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-5-oxopyrrolidine-3-carboxylic acid
CID 122766
1-Ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 4715303
1-Isobutyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777942
1-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3016409
1-(Cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 16784378
1-Acetylpyrrolidine-3-carboxylic acid
CID 22117928
5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 24704733
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 54593281
1-Acetyl-3-methylpyrrolidine-3-carboxylic acid
CID 63142868
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 91647567
1-Methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 122236427
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-(difluoromethyl)pyrrolidine-3-carboxylic acid
CID 168267177

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid (CID 63006751) is 1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JAFRAPUTPDJJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)3-6(13)12-2-1-5(4-12)7(14)15/h5H,1-4H2,(H,14,15).
What are the key properties of 1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid?
1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.17 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63006751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).