(E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine

C15H21F4N — CID 166823969

IUPAC(E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine
SMILESC=C/C=C(C(/CCC)=N/C)\C(C)=C(\F)C(C)C(F)(F)F
InChIInChI=1S/C15H21F4N/c1-6-8-12(13(20-5)9-7-2)10(3)14(16)11(4)15(17,18)19/h6,8,11H,1,7,9H2,2-5H3/b12-8+,14-10+,20-13+
InChIKeyYMLHDCVKAHSWFF-LBRJINGISA-N
MW291.33 g/mol
LogP5.41
Rot. Bonds6

About (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine

(E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine (PubChem CID 166823969) has the molecular formula C15H21F4N and a molecular weight of 291.33 g/mol. Its IUPAC name is (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine.

Molecular Properties

Compound Name(E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine
PubChem CID166823969
Molecular FormulaC15H21F4N
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC Name(E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine
SMILESC=C/C=C(C(/CCC)=N/C)\C(C)=C(\F)C(C)C(F)(F)F
InChIInChI=1S/C15H21F4N/c1-6-8-12(13(20-5)9-7-2)10(3)14(16)11(4)15(17,18)19/h6,8,11H,1,7,9H2,2-5H3/b12-8+,14-10+,20-13+
InChIKeyYMLHDCVKAHSWFF-LBRJINGISA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.33
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine?
The IUPAC name of (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine (CID 166823969) is (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine.
What is the SMILES notation for (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine?
The canonical SMILES for (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine is C=C/C=C(C(/CCC)=N/C)\C(C)=C(\F)C(C)C(F)(F)F.
What is the InChIKey of (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine?
The InChIKey is YMLHDCVKAHSWFF-LBRJINGISA-N. The full InChI is InChI=1S/C15H21F4N/c1-6-8-12(13(20-5)9-7-2)10(3)14(16)11(4)15(17,18)19/h6,8,11H,1,7,9H2,2-5H3/b12-8+,14-10+,20-13+.
What are the key properties of (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine?
(E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine has a molecular weight of 291.33 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine is sourced from PubChem (CID 166823969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).