(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine

C8H11F4N — CID 137467801

IUPAC(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine
SMILESCC/N=C/C(=C\C(C)F)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-3-13-5-7(4-6(2)9)8(10,11)12/h4-6H,3H2,1-2H3/b7-4+,13-5+
InChIKeyAIUKFWPNMHYDHO-RWMVUUEKSA-N
MW197.17 g/mol
LogP2.92
Rot. Bonds3

About (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine

(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine (PubChem CID 137467801) has the molecular formula C8H11F4N and a molecular weight of 197.17 g/mol. Its IUPAC name is (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine
PubChem CID137467801
Molecular FormulaC8H11F4N
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine
SMILESCC/N=C/C(=C\C(C)F)C(F)(F)F
InChIInChI=1S/C8H11F4N/c1-3-13-5-7(4-6(2)9)8(10,11)12/h4-6H,3H2,1-2H3/b7-4+,13-5+
InChIKeyAIUKFWPNMHYDHO-RWMVUUEKSA-N
XLogP2.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine?
The IUPAC name of (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine (CID 137467801) is (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine.
What is the SMILES notation for (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine?
The canonical SMILES for (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine is CC/N=C/C(=C\C(C)F)C(F)(F)F.
What is the InChIKey of (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine?
The InChIKey is AIUKFWPNMHYDHO-RWMVUUEKSA-N. The full InChI is InChI=1S/C8H11F4N/c1-3-13-5-7(4-6(2)9)8(10,11)12/h4-6H,3H2,1-2H3/b7-4+,13-5+.
What are the key properties of (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine?
(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine has a molecular weight of 197.17 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine is sourced from PubChem (CID 137467801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).