(1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine

C8H11F4N — CID 155001350

IUPAC(1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
SMILESCCN(C)/C=C(\C=C\F)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-3-13(2)6-7(4-5-9)8(10,11)12/h4-6H,3H2,1-2H3/b5-4+,7-6+
InChIKeyHEHMYBXPNYSZFL-YTXTXJHMSA-N
MW197.18 g/mol
LogP2.87
Rot. Bonds3

About (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine

(1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine (PubChem CID 155001350) has the molecular formula C8H11F4N and a molecular weight of 197.18 g/mol. Its IUPAC name is (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
PubChem CID155001350
Molecular FormulaC8H11F4N
Molecular Weight197.18 g/mol
Exact Mass197.08
IUPAC Name(1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine
SMILESCCN(C)/C=C(\C=C\F)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-3-13(2)6-7(4-5-9)8(10,11)12/h4-6H,3H2,1-2H3/b5-4+,7-6+
InChIKeyHEHMYBXPNYSZFL-YTXTXJHMSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine (CID 155001350) is (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine is CCN(C)/C=C(\C=C\F)C(F)(F)F.
What is the InChIKey of (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
The InChIKey is HEHMYBXPNYSZFL-YTXTXJHMSA-N. The full InChI is InChI=1S/C8H11F4N/c1-3-13(2)6-7(4-5-9)8(10,11)12/h4-6H,3H2,1-2H3/b5-4+,7-6+.
What are the key properties of (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine?
(1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine has a molecular weight of 197.18 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N-ethyl-4-fluoro-N-methyl-2-(trifluoromethyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 155001350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).