ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide

C12H21F3N2O2 — CID 142031116

IUPACethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide
SMILESC=C1C(NC(=O)C(F)(F)F)CC(=O)N1C.CC.CC
InChIInChI=1S/C8H9F3N2O2.2C2H6/c1-4-5(3-6(14)13(4)2)12-7(15)8(9,10)11;2*1-2/h5H,1,3H2,2H3,(H,12,15);2*1-2H3
InChIKeyIKJTWAVKHNFNDV-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.46
Rot. Bonds1

About ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide

ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide (PubChem CID 142031116) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide
PubChem CID142031116
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Nameethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide
SMILESC=C1C(NC(=O)C(F)(F)F)CC(=O)N1C.CC.CC
InChIInChI=1S/C8H9F3N2O2.2C2H6/c1-4-5(3-6(14)13(4)2)12-7(15)8(9,10)11;2*1-2/h5H,1,3H2,2H3,(H,12,15);2*1-2H3
InChIKeyIKJTWAVKHNFNDV-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide (CID 142031116) is ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide is C=C1C(NC(=O)C(F)(F)F)CC(=O)N1C.CC.CC.
What is the InChIKey of ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide?
The InChIKey is IKJTWAVKHNFNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2.2C2H6/c1-4-5(3-6(14)13(4)2)12-7(15)8(9,10)11;2*1-2/h5H,1,3H2,2H3,(H,12,15);2*1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide?
ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-N-(1-methyl-2-methylidene-5-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 142031116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).