2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide

C7H6F7NO — CID 12661114

IUPAC2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide
SMILESCN(C)C(=O)C(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-15(2)5(16)3(8)4(6(9,10)11)7(12,13)14/h1-2H3
InChIKeyABPCIJOYGPNEQP-UHFFFAOYSA-N
MW253.12 g/mol
LogP2.42
Rot. Bonds1

About 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide

2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide (PubChem CID 12661114) has the molecular formula C7H6F7NO and a molecular weight of 253.12 g/mol. Its IUPAC name is 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide.

Molecular Properties

Compound Name2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide
PubChem CID12661114
Molecular FormulaC7H6F7NO
Molecular Weight253.12 g/mol
Exact Mass253.03
IUPAC Name2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide
SMILESCN(C)C(=O)C(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-15(2)5(16)3(8)4(6(9,10)11)7(12,13)14/h1-2H3
InChIKeyABPCIJOYGPNEQP-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 52.42
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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Related Compounds

[(E)-2,3,4,4,4-pentafluorobut-2-enyl] 2-(dimethylamino)-2-oxoacetate
CID 139567653
(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enoyl fluoride
CID 177424465
2-fluoro-N,N-dimethyl-3-oxoprop-2-enamide
CID 89462885
N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
CID 159443818
[methyl-(2,2,2-trifluoroacetyl)amino]azanide
CID 163589584
N-(1,1-difluoroethyl)-N-methylcarbamoyl fluoride
CID 135080758
tris(1,1,1,3,3,3-hexafluoropropan-2-one);iron
CID 159237842
cerium;1,1,1,3,3,3-hexafluoropropan-2-one
CID 90019366
1,1,1,3,3-pentafluorobutan-2-one
CID 21483509
3,3-diiodo-N,N-dimethyl-2-oxobutanamide
CID 155470286
2,2,2-trifluoro-N',N'-dimethylacetohydrazide
CID 3091354
N-tert-butyl-2,2,2-trifluoro-N-methylacetamide
CID 115190151

Frequently Asked Questions

What is the IUPAC name of 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide?
The IUPAC name of 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide (CID 12661114) is 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide.
What is the SMILES notation for 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide?
The canonical SMILES for 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide is CN(C)C(=O)C(F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide?
The InChIKey is ABPCIJOYGPNEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F7NO/c1-15(2)5(16)3(8)4(6(9,10)11)7(12,13)14/h1-2H3.
What are the key properties of 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide?
2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide has a molecular weight of 253.12 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,4-tetrafluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-enamide is sourced from PubChem (CID 12661114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).