2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide

C7H9F4NO — CID 90019734

IUPAC2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide
SMILESCC(C)=C(F)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H9F4NO/c1-4(2)5(8)3-12-6(13)7(9,10)11/h3H2,1-2H3,(H,12,13)
InChIKeyLBFOJPYAOSGMGA-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.93
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide

2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide (PubChem CID 90019734) has the molecular formula C7H9F4NO and a molecular weight of 199.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide
PubChem CID90019734
Molecular FormulaC7H9F4NO
Molecular Weight199.15 g/mol
Exact Mass199.06
IUPAC Name2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide
SMILESCC(C)=C(F)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H9F4NO/c1-4(2)5(8)3-12-6(13)7(9,10)11/h3H2,1-2H3,(H,12,13)
InChIKeyLBFOJPYAOSGMGA-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide (CID 90019734) is 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide is CC(C)=C(F)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide?
The InChIKey is LBFOJPYAOSGMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO/c1-4(2)5(8)3-12-6(13)7(9,10)11/h3H2,1-2H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide?
2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide has a molecular weight of 199.15 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-fluoro-3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 90019734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).