(E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine

C7H10F3NO — CID 172958863

IUPAC(E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine
SMILESCC/C=C\C(=N/OC)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-5-6(11-12-2)7(8,9)10/h4-5H,3H2,1-2H3/b5-4-,11-6+
InChIKeyVOWCUHRWERITTM-UMEJXRAUSA-N
MW181.16 g/mol
LogP2.52
Rot. Bonds3

About (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine

(E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine (PubChem CID 172958863) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine.

Molecular Properties

Compound Name(E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine
PubChem CID172958863
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine
SMILESCC/C=C\C(=N/OC)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-4-5-6(11-12-2)7(8,9)10/h4-5H,3H2,1-2H3/b5-4-,11-6+
InChIKeyVOWCUHRWERITTM-UMEJXRAUSA-N
XLogP2.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine?
The IUPAC name of (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine (CID 172958863) is (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine.
What is the SMILES notation for (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine?
The canonical SMILES for (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine is CC/C=C\C(=N/OC)C(F)(F)F.
What is the InChIKey of (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine?
The InChIKey is VOWCUHRWERITTM-UMEJXRAUSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-3-4-5-6(11-12-2)7(8,9)10/h4-5H,3H2,1-2H3/b5-4-,11-6+.
What are the key properties of (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine?
(E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine has a molecular weight of 181.16 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-1,1,1-trifluoro-N-methoxyhex-3-en-2-imine is sourced from PubChem (CID 172958863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).