(2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid

C6H8F3NO2 — CID 15953693

IUPAC(2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(C(F)(F)F)CCCN1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)2-1-3-10-5/h10H,1-3H2,(H,11,12)/t5-/m0/s1
InChIKeyJOMHNFHOGGKSIM-YFKPBYRVSA-N
MW183.13 g/mol
LogP0.76
Rot. Bonds1

About (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid

(2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid (PubChem CID 15953693) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
PubChem CID15953693
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name(2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(C(F)(F)F)CCCN1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)2-1-3-10-5/h10H,1-3H2,(H,11,12)/t5-/m0/s1
InChIKeyJOMHNFHOGGKSIM-YFKPBYRVSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid (CID 15953693) is (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@]1(C(F)(F)F)CCCN1.
What is the InChIKey of (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JOMHNFHOGGKSIM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)2-1-3-10-5/h10H,1-3H2,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
(2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 183.13 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15953693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).