(E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine

C6H5F6N — CID 134996458

IUPAC(E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine
SMILES[H]/N=C(C(\C)=C\C(F)(F)F)/C(F)(F)F
InChIInChI=1S/C6H5F6N/c1-3(2-5(7,8)9)4(13)6(10,11)12/h2,13H,1H3/b3-2+,13-4+
InChIKeyZVRDOAYFTMIEBZ-JDVNWEJLSA-N
MW205.10 g/mol
LogP3.08
Rot. Bonds1

About (E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine

(E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine (PubChem CID 134996458) has the molecular formula C6H5F6N and a molecular weight of 205.10 g/mol. Its IUPAC name is (E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine
PubChem CID134996458
Molecular FormulaC6H5F6N
Molecular Weight205.10 g/mol
Exact Mass205.03
IUPAC Name(E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine
SMILES[H]/N=C(C(\C)=C\C(F)(F)F)/C(F)(F)F
InChIInChI=1S/C6H5F6N/c1-3(2-5(7,8)9)4(13)6(10,11)12/h2,13H,1H3/b3-2+,13-4+
InChIKeyZVRDOAYFTMIEBZ-JDVNWEJLSA-N
XLogP3.08
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 53.08
H-Bond Donors ≤ 51
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)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine?
The IUPAC name of (E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine (CID 134996458) is (E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine?
The canonical SMILES for (E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine is [H]/N=C(C(\C)=C\C(F)(F)F)/C(F)(F)F.
What is the InChIKey of (E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine?
The InChIKey is ZVRDOAYFTMIEBZ-JDVNWEJLSA-N. The full InChI is InChI=1S/C6H5F6N/c1-3(2-5(7,8)9)4(13)6(10,11)12/h2,13H,1H3/b3-2+,13-4+.
What are the key properties of (E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine?
(E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine has a molecular weight of 205.10 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine is sourced from PubChem (CID 134996458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).