(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine

C11H18F3N — CID 89153658

IUPAC(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine
SMILESC/N=C(C(/C)=C(\C)C(C)(C)C)\C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-7(8(2)10(3,4)5)9(15-6)11(12,13)14/h1-6H3/b8-7+,15-9-
InChIKeyVPCJHWTVDMOBRH-YMOMHROCSA-N
MW221.27 g/mol
LogP4.00
Rot. Bonds1

About (E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine

(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine (PubChem CID 89153658) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine
PubChem CID89153658
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine
SMILESC/N=C(C(/C)=C(\C)C(C)(C)C)\C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-7(8(2)10(3,4)5)9(15-6)11(12,13)14/h1-6H3/b8-7+,15-9-
InChIKeyVPCJHWTVDMOBRH-YMOMHROCSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 54.00
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)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine?
The IUPAC name of (E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine (CID 89153658) is (E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine?
The canonical SMILES for (E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine is C/N=C(C(/C)=C(\C)C(C)(C)C)\C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine?
The InChIKey is VPCJHWTVDMOBRH-YMOMHROCSA-N. The full InChI is InChI=1S/C11H18F3N/c1-7(8(2)10(3,4)5)9(15-6)11(12,13)14/h1-6H3/b8-7+,15-9-.
What are the key properties of (E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine?
(E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine has a molecular weight of 221.27 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-N,3,4,5,5-pentamethylhex-3-en-2-imine is sourced from PubChem (CID 89153658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).