N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide

C9H14F3NO — CID 2752549

IUPACN,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide
SMILESCCN(CC)C(=O)C=C(C)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-4-13(5-2)8(14)6-7(3)9(10,11)12/h6H,4-5H2,1-3H3
InChIKeyLMOUYGLJWFMUGA-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.36
Rot. Bonds3

About N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide

N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide (PubChem CID 2752549) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide
PubChem CID2752549
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide
SMILESCCN(CC)C(=O)C=C(C)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-4-13(5-2)8(14)6-7(3)9(10,11)12/h6H,4-5H2,1-3H3
InChIKeyLMOUYGLJWFMUGA-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.36
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

N,N-diethyl-2,2-difluoro-2-(pentafluoro-λ6-sulfanyl)acetamide
CID 102129744
(Z)-4-(diethylamino)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
CID 124647789
N-ethyl-2,2,2-trifluoro-N-(2-oxoethyl)acetamide
CID 150846310
(3E)-4-(diethylamino)-5-methylhexa-3,5-dien-2-one
CID 121220213
ethyl (Z)-4-(diethylamino)-2-hydroxy-4-oxobut-2-enoate
CID 138572235
(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116
N',N'-diethyl-2-(2-hydroxyethyl)but-2-enediamide
CID 163952153
(E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide
CID 23264856
(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide
CID 162574267
N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
CID 62491296
N,N-diethyl-2-methylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159940751
N,N-diethyl-3-oxo-2-(trifluoromethyl)butanamide
CID 87943622

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide?
The IUPAC name of N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide (CID 2752549) is N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide.
What is the SMILES notation for N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide?
The canonical SMILES for N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide is CCN(CC)C(=O)C=C(C)C(F)(F)F.
What is the InChIKey of N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide?
The InChIKey is LMOUYGLJWFMUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-4-13(5-2)8(14)6-7(3)9(10,11)12/h6H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide?
N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide has a molecular weight of 209.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4,4-trifluoro-3-methylbut-2-enamide is sourced from PubChem (CID 2752549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).