3-(trifluoromethyl)pyrrolidine-1-carboxylic acid

C6H8F3NO2 — CID 68960717

IUPAC3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-1-2-10(3-4)5(11)12/h4H,1-3H2,(H,11,12)
InChIKeyWMTNOIPDXNTBGK-UHFFFAOYSA-N
MW183.13 g/mol
LogP1.55
Rot. Bonds

About 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid

3-(trifluoromethyl)pyrrolidine-1-carboxylic acid (PubChem CID 68960717) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
PubChem CID68960717
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-1-2-10(3-4)5(11)12/h4H,1-3H2,(H,11,12)
InChIKeyWMTNOIPDXNTBGK-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid (CID 68960717) is 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is WMTNOIPDXNTBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)4-1-2-10(3-4)5(11)12/h4H,1-3H2,(H,11,12).
What are the key properties of 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid?
3-(trifluoromethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 183.13 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68960717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).