4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one

C7H10F3NO2 — CID 76687131

IUPAC4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one
SMILESCOC(C1CNC(=O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-13-6(7(8,9)10)4-2-5(12)11-3-4/h4,6H,2-3H2,1H3,(H,11,12)
InChIKeyDTNQUPXOYCTYAI-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.70
Rot. Bonds2

About 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one

4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one (PubChem CID 76687131) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one
PubChem CID76687131
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one
SMILESCOC(C1CNC(=O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-13-6(7(8,9)10)4-2-5(12)11-3-4/h4,6H,2-3H2,1H3,(H,11,12)
InChIKeyDTNQUPXOYCTYAI-UHFFFAOYSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one (CID 76687131) is 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one is COC(C1CNC(=O)C1)C(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one?
The InChIKey is DTNQUPXOYCTYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-13-6(7(8,9)10)4-2-5(12)11-3-4/h4,6H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one?
4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one has a molecular weight of 197.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 76687131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).