(E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide

C12H20F4N2O — CID 23264856

IUPAC(E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C(=C(\F)N(CC)CC)C(F)(F)F
InChIInChI=1S/C12H20F4N2O/c1-5-17(6-2)10(13)9(12(14,15)16)11(19)18(7-3)8-4/h5-8H2,1-4H3/b10-9-
InChIKeyMHIZQWLWPGMCQS-KTKRTIGZSA-N
MW284.30 g/mol
LogP2.94
Rot. Bonds6

About (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide

(E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide (PubChem CID 23264856) has the molecular formula C12H20F4N2O and a molecular weight of 284.30 g/mol. Its IUPAC name is (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide
PubChem CID23264856
Molecular FormulaC12H20F4N2O
Molecular Weight284.30 g/mol
Exact Mass284.15
IUPAC Name(E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C(=C(\F)N(CC)CC)C(F)(F)F
InChIInChI=1S/C12H20F4N2O/c1-5-17(6-2)10(13)9(12(14,15)16)11(19)18(7-3)8-4/h5-8H2,1-4H3/b10-9-
InChIKeyMHIZQWLWPGMCQS-KTKRTIGZSA-N
XLogP2.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide?
The IUPAC name of (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide (CID 23264856) is (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide is CCN(CC)C(=O)/C(=C(\F)N(CC)CC)C(F)(F)F.
What is the InChIKey of (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide?
The InChIKey is MHIZQWLWPGMCQS-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H20F4N2O/c1-5-17(6-2)10(13)9(12(14,15)16)11(19)18(7-3)8-4/h5-8H2,1-4H3/b10-9-.
What are the key properties of (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide?
(E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide has a molecular weight of 284.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(diethylamino)-N,N-diethyl-3-fluoro-2-(trifluoromethyl)prop-2-enamide is sourced from PubChem (CID 23264856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).