(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine

C9H8F9N — CID 142438884

IUPAC(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
SMILESCC/C(F)=C(C(=N/C)\C(F)(F)C(F)(F)F)/C(F)(F)F
InChIInChI=1S/C9H8F9N/c1-3-4(10)5(8(13,14)15)6(19-2)7(11,12)9(16,17)18/h3H2,1-2H3/b5-4-,19-6+
InChIKeyKITOGGKKJZKOGH-KYCOTQASSA-N
MW301.15 g/mol
LogP4.45
Rot. Bonds3

About (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine

(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine (PubChem CID 142438884) has the molecular formula C9H8F9N and a molecular weight of 301.15 g/mol. Its IUPAC name is (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine.

Molecular Properties

Compound Name(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
PubChem CID142438884
Molecular FormulaC9H8F9N
Molecular Weight301.15 g/mol
Exact Mass301.05
IUPAC Name(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
SMILESCC/C(F)=C(C(=N/C)\C(F)(F)C(F)(F)F)/C(F)(F)F
InChIInChI=1S/C9H8F9N/c1-3-4(10)5(8(13,14)15)6(19-2)7(11,12)9(16,17)18/h3H2,1-2H3/b5-4-,19-6+
InChIKeyKITOGGKKJZKOGH-KYCOTQASSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine?
The IUPAC name of (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine (CID 142438884) is (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine.
What is the SMILES notation for (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine?
The canonical SMILES for (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine is CC/C(F)=C(C(=N/C)\C(F)(F)C(F)(F)F)/C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine?
The InChIKey is KITOGGKKJZKOGH-KYCOTQASSA-N. The full InChI is InChI=1S/C9H8F9N/c1-3-4(10)5(8(13,14)15)6(19-2)7(11,12)9(16,17)18/h3H2,1-2H3/b5-4-,19-6+.
What are the key properties of (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine?
(Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine has a molecular weight of 301.15 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,2,5-hexafluoro-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine is sourced from PubChem (CID 142438884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).