pyrrolidin-2-one;2,2,2-trifluoroacetic acid

C6H8F3NO3 — CID 68694206

IUPACpyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2HF3O2/c6-4-2-1-3-5-4;3-2(4,5)1(6)7/h1-3H2,(H,5,6);(H,6,7)
InChIKeySCFVLCBATVDKDN-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.53
Rot. Bonds

About pyrrolidin-2-one;2,2,2-trifluoroacetic acid

pyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 68694206) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is pyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID68694206
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Namepyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CCCN1
InChIInChI=1S/C4H7NO.C2HF3O2/c6-4-2-1-3-5-4;3-2(4,5)1(6)7/h1-3H2,(H,5,6);(H,6,7)
InChIKeySCFVLCBATVDKDN-UHFFFAOYSA-N
XLogP0.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 68694206) is pyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrrolidin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CCCN1.
What is the InChIKey of pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is SCFVLCBATVDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2HF3O2/c6-4-2-1-3-5-4;3-2(4,5)1(6)7/h1-3H2,(H,5,6);(H,6,7).
What are the key properties of pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
pyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 199.13 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68694206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).