(5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine

C9H10F5N — CID 166925117

IUPAC(5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine
SMILES[H]/N=C(\C=C/C(=C)C)CC(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5N/c1-6(2)3-4-7(15)5-8(10,11)9(12,13)14/h3-4,15H,1,5H2,2H3/b4-3-,15-7+
InChIKeyRYTSVWYOVWAOIO-VDSXDIJOSA-N
MW227.18 g/mol
LogP3.73
Rot. Bonds4

About (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine

(5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine (PubChem CID 166925117) has the molecular formula C9H10F5N and a molecular weight of 227.18 g/mol. Its IUPAC name is (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine
PubChem CID166925117
Molecular FormulaC9H10F5N
Molecular Weight227.18 g/mol
Exact Mass227.07
IUPAC Name(5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine
SMILES[H]/N=C(\C=C/C(=C)C)CC(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F5N/c1-6(2)3-4-7(15)5-8(10,11)9(12,13)14/h3-4,15H,1,5H2,2H3/b4-3-,15-7+
InChIKeyRYTSVWYOVWAOIO-VDSXDIJOSA-N
XLogP3.73
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine?
The IUPAC name of (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine (CID 166925117) is (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine.
What is the SMILES notation for (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine?
The canonical SMILES for (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine is [H]/N=C(\C=C/C(=C)C)CC(F)(F)C(F)(F)F.
What is the InChIKey of (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine?
The InChIKey is RYTSVWYOVWAOIO-VDSXDIJOSA-N. The full InChI is InChI=1S/C9H10F5N/c1-6(2)3-4-7(15)5-8(10,11)9(12,13)14/h3-4,15H,1,5H2,2H3/b4-3-,15-7+.
What are the key properties of (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine?
(5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine has a molecular weight of 227.18 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine is sourced from PubChem (CID 166925117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).