(Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine

C9H12F5N — CID 167172097

IUPAC(Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine
SMILESC/C=C\C(CCC(F)(F)C(F)(F)F)=N/C
InChIInChI=1S/C9H12F5N/c1-3-4-7(15-2)5-6-8(10,11)9(12,13)14/h3-4H,5-6H2,1-2H3/b4-3-,15-7+
InChIKeyQPJHEMSFKPRHKQ-VDSXDIJOSA-N
MW229.19 g/mol
LogP3.61
Rot. Bonds4

About (Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine

(Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine (PubChem CID 167172097) has the molecular formula C9H12F5N and a molecular weight of 229.19 g/mol. Its IUPAC name is (Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine.

Molecular Properties

Compound Name(Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine
PubChem CID167172097
Molecular FormulaC9H12F5N
Molecular Weight229.19 g/mol
Exact Mass229.09
IUPAC Name(Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine
SMILESC/C=C\C(CCC(F)(F)C(F)(F)F)=N/C
InChIInChI=1S/C9H12F5N/c1-3-4-7(15-2)5-6-8(10,11)9(12,13)14/h3-4H,5-6H2,1-2H3/b4-3-,15-7+
InChIKeyQPJHEMSFKPRHKQ-VDSXDIJOSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 53.61
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)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine?
The IUPAC name of (Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine (CID 167172097) is (Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine.
What is the SMILES notation for (Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine?
The canonical SMILES for (Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine is C/C=C\C(CCC(F)(F)C(F)(F)F)=N/C.
What is the InChIKey of (Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine?
The InChIKey is QPJHEMSFKPRHKQ-VDSXDIJOSA-N. The full InChI is InChI=1S/C9H12F5N/c1-3-4-7(15-2)5-6-8(10,11)9(12,13)14/h3-4H,5-6H2,1-2H3/b4-3-,15-7+.
What are the key properties of (Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine?
(Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine has a molecular weight of 229.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,7,8,8,8-pentafluoro-N-methyloct-2-en-4-imine is sourced from PubChem (CID 167172097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).