(Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine

C7H7F6NO — CID 59782164

IUPAC(Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(/C=C(\OC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6NO/c1-14-4(6(8,9)10)3-5(15-2)7(11,12)13/h3H,1-2H3/b5-3-,14-4-
InChIKeyPNVWAMNUYDIBOQ-VASRWILJSA-N
MW235.13 g/mol
LogP2.71
Rot. Bonds2

About (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine

(Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine (PubChem CID 59782164) has the molecular formula C7H7F6NO and a molecular weight of 235.13 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
PubChem CID59782164
Molecular FormulaC7H7F6NO
Molecular Weight235.13 g/mol
Exact Mass235.04
IUPAC Name(Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(/C=C(\OC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6NO/c1-14-4(6(8,9)10)3-5(15-2)7(11,12)13/h3H,1-2H3/b5-3-,14-4-
InChIKeyPNVWAMNUYDIBOQ-VASRWILJSA-N
XLogP2.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine?
The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine (CID 59782164) is (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine is C/N=C(/C=C(\OC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine?
The InChIKey is PNVWAMNUYDIBOQ-VASRWILJSA-N. The full InChI is InChI=1S/C7H7F6NO/c1-14-4(6(8,9)10)3-5(15-2)7(11,12)13/h3H,1-2H3/b5-3-,14-4-.
What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine?
(Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine has a molecular weight of 235.13 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine is sourced from PubChem (CID 59782164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).