6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine

C9H10FN — CID 163890112

IUPAC6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine
SMILES[H]/N=C/CC(C)=C=C=C(F)C=C
InChIInChI=1S/C9H10FN/c1-3-9(10)5-4-8(2)6-7-11/h3,7,11H,1,6H2,2H3/b9-8+,11-7+
InChIKeyQAVCQJYQWNFSSS-WSMCZHAYSA-N
MW151.18 g/mol
LogP2.77
Rot. Bonds3

About 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine

6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine (PubChem CID 163890112) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine.

Molecular Properties

Compound Name6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine
PubChem CID163890112
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine
SMILES[H]/N=C/CC(C)=C=C=C(F)C=C
InChIInChI=1S/C9H10FN/c1-3-9(10)5-4-8(2)6-7-11/h3,7,11H,1,6H2,2H3/b9-8+,11-7+
InChIKeyQAVCQJYQWNFSSS-WSMCZHAYSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine?
The IUPAC name of 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine (CID 163890112) is 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine.
What is the SMILES notation for 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine?
The canonical SMILES for 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine is [H]/N=C/CC(C)=C=C=C(F)C=C.
What is the InChIKey of 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine?
The InChIKey is QAVCQJYQWNFSSS-WSMCZHAYSA-N. The full InChI is InChI=1S/C9H10FN/c1-3-9(10)5-4-8(2)6-7-11/h3,7,11H,1,6H2,2H3/b9-8+,11-7+.
What are the key properties of 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine?
6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine has a molecular weight of 151.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylocta-3,4,5,7-tetraen-1-imine is sourced from PubChem (CID 163890112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).