3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide

C6H6F5NO — CID 12829623

IUPAC3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide
SMILESCN(C)C(=O)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c1-12(2)5(13)3(4(7)8)6(9,10)11/h1-2H3
InChIKeyLRBAJILXUZPROQ-UHFFFAOYSA-N
MW203.11 g/mol
LogP1.79
Rot. Bonds1

About 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide

3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide (PubChem CID 12829623) has the molecular formula C6H6F5NO and a molecular weight of 203.11 g/mol. Its IUPAC name is 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound Name3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide
PubChem CID12829623
Molecular FormulaC6H6F5NO
Molecular Weight203.11 g/mol
Exact Mass203.04
IUPAC Name3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide
SMILESCN(C)C(=O)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C6H6F5NO/c1-12(2)5(13)3(4(7)8)6(9,10)11/h1-2H3
InChIKeyLRBAJILXUZPROQ-UHFFFAOYSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 51.79
H-Bond Donors ≤ 50
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 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide (CID 12829623) is 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide is CN(C)C(=O)C(=C(F)F)C(F)(F)F.
What is the InChIKey of 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is LRBAJILXUZPROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5NO/c1-12(2)5(13)3(4(7)8)6(9,10)11/h1-2H3.
What are the key properties of 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide?
3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 203.11 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 12829623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).