N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide

C8H12F3NO — CID 130014834

IUPACN-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide
SMILESC=C(C)C(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(2)7(3,4)12-6(13)8(9,10)11/h1H2,2-4H3,(H,12,13)
InChIKeyZLXAVALKFCLYHI-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.02
Rot. Bonds2

About N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide

N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 130014834) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide
PubChem CID130014834
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide
SMILESC=C(C)C(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(2)7(3,4)12-6(13)8(9,10)11/h1H2,2-4H3,(H,12,13)
InChIKeyZLXAVALKFCLYHI-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide (CID 130014834) is N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide is C=C(C)C(C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ZLXAVALKFCLYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(2)7(3,4)12-6(13)8(9,10)11/h1H2,2-4H3,(H,12,13).
What are the key properties of N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide?
N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 195.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbut-3-en-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130014834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).