(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one

C6H6F3NO — CID 155351081

IUPAC(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one
SMILESO=C1NCC/C1=C/C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)3-4-1-2-10-5(4)11/h3H,1-2H2,(H,10,11)/b4-3-
InChIKeyHHPXRTTXCFTHLA-ARJAWSKDSA-N
MW165.11 g/mol
LogP1.00
Rot. Bonds

About (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one

(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one (PubChem CID 155351081) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one
PubChem CID155351081
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one
SMILESO=C1NCC/C1=C/C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)3-4-1-2-10-5(4)11/h3H,1-2H2,(H,10,11)/b4-3-
InChIKeyHHPXRTTXCFTHLA-ARJAWSKDSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one?
The IUPAC name of (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one (CID 155351081) is (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one?
The canonical SMILES for (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one is O=C1NCC/C1=C/C(F)(F)F.
What is the InChIKey of (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one?
The InChIKey is HHPXRTTXCFTHLA-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)3-4-1-2-10-5(4)11/h3H,1-2H2,(H,10,11)/b4-3-.
What are the key properties of (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one?
(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one has a molecular weight of 165.11 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidin-2-one is sourced from PubChem (CID 155351081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).