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

C8H12F3NO2 — CID 64566121

IUPAC1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)2-4-12-3-1-6(5-12)7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyHXYZIDDBGJBSNJ-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.35
Rot. Bonds3

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

1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid (PubChem CID 64566121) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
PubChem CID64566121
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCC(F)(F)F)C1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)2-4-12-3-1-6(5-12)7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyHXYZIDDBGJBSNJ-UHFFFAOYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid (CID 64566121) is 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CCC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HXYZIDDBGJBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)2-4-12-3-1-6(5-12)7(13)14/h6H,1-5H2,(H,13,14).
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid?
1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64566121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).