4,4-bis(trifluoromethyl)pyrrolidin-2-one

C6H5F6NO — CID 105476927

IUPAC4,4-bis(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)(F)F)(C(F)(F)F)CN1
InChIInChI=1S/C6H5F6NO/c7-5(8,9)4(6(10,11)12)1-3(14)13-2-4/h1-2H2,(H,13,14)
InChIKeyUMXTZPHUZHHCDF-UHFFFAOYSA-N
MW221.10 g/mol
LogP1.62
Rot. Bonds

About 4,4-bis(trifluoromethyl)pyrrolidin-2-one

4,4-bis(trifluoromethyl)pyrrolidin-2-one (PubChem CID 105476927) has the molecular formula C6H5F6NO and a molecular weight of 221.10 g/mol. Its IUPAC name is 4,4-bis(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4,4-bis(trifluoromethyl)pyrrolidin-2-one
PubChem CID105476927
Molecular FormulaC6H5F6NO
Molecular Weight221.10 g/mol
Exact Mass221.03
IUPAC Name4,4-bis(trifluoromethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)(F)F)(C(F)(F)F)CN1
InChIInChI=1S/C6H5F6NO/c7-5(8,9)4(6(10,11)12)1-3(14)13-2-4/h1-2H2,(H,13,14)
InChIKeyUMXTZPHUZHHCDF-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 4,4-bis(trifluoromethyl)pyrrolidin-2-one (CID 105476927) is 4,4-bis(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 4,4-bis(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 4,4-bis(trifluoromethyl)pyrrolidin-2-one is O=C1CC(C(F)(F)F)(C(F)(F)F)CN1.
What is the InChIKey of 4,4-bis(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is UMXTZPHUZHHCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6NO/c7-5(8,9)4(6(10,11)12)1-3(14)13-2-4/h1-2H2,(H,13,14).
What are the key properties of 4,4-bis(trifluoromethyl)pyrrolidin-2-one?
4,4-bis(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 221.10 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 105476927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).