pyrrolidine;2,2,2-trifluoroacetic acid

C6H10F3NO2 — CID 56840277

IUPACpyrrolidine;2,2,2-trifluoroacetic acid
SMILESC1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9N.C2HF3O2/c1-2-4-5-3-1;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7)
InChIKeyCKNYWTABPYGPEX-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.00
Rot. Bonds

About pyrrolidine;2,2,2-trifluoroacetic acid

pyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 56840277) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is pyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID56840277
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Namepyrrolidine;2,2,2-trifluoroacetic acid
SMILESC1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9N.C2HF3O2/c1-2-4-5-3-1;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7)
InChIKeyCKNYWTABPYGPEX-UHFFFAOYSA-N
XLogP1.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrrolidine;2,2,2-trifluoroacetic acid (CID 56840277) is pyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrrolidine;2,2,2-trifluoroacetic acid is C1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of pyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is CKNYWTABPYGPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C2HF3O2/c1-2-4-5-3-1;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7).
What are the key properties of pyrrolidine;2,2,2-trifluoroacetic acid?
pyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 185.14 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56840277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).