3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C6H8F3NO2 — CID 45026867

IUPAC3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)1-2-10-3-5/h10H,1-3H2,(H,11,12)
InChIKeyVEUBBZBEISLEIY-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.61
Rot. Bonds1

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

3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 45026867) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID45026867
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)1-2-10-3-5/h10H,1-3H2,(H,11,12)
InChIKeyVEUBBZBEISLEIY-UHFFFAOYSA-N
XLogP0.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 45026867) is 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VEUBBZBEISLEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)1-2-10-3-5/h10H,1-3H2,(H,11,12).
What are the key properties of 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 183.13 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 45026867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).