(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine

C8H11F3N2 — CID 91208998

IUPAC(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C\C(C)=N\CC)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-13-6(2)4-5-7(12)8(9,10)11/h4-5,12H,3H2,1-2H3/b5-4-,12-7-,13-6+
InChIKeyGMEDWHADVMNKJX-QVBDPSBJSA-N
MW192.18 g/mol
LogP2.61
Rot. Bonds3

About (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine

(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine (PubChem CID 91208998) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
PubChem CID91208998
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
SMILES[H]/N=C(/C=C\C(C)=N\CC)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-13-6(2)4-5-7(12)8(9,10)11/h4-5,12H,3H2,1-2H3/b5-4-,12-7-,13-6+
InChIKeyGMEDWHADVMNKJX-QVBDPSBJSA-N
XLogP2.61
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine?
The IUPAC name of (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine (CID 91208998) is (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine?
The canonical SMILES for (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine is [H]/N=C(/C=C\C(C)=N\CC)C(F)(F)F.
What is the InChIKey of (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine?
The InChIKey is GMEDWHADVMNKJX-QVBDPSBJSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-13-6(2)4-5-7(12)8(9,10)11/h4-5,12H,3H2,1-2H3/b5-4-,12-7-,13-6+.
What are the key properties of (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine?
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine has a molecular weight of 192.18 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine is sourced from PubChem (CID 91208998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).