(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine

C11H16FN — CID 174316429

IUPAC(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine
SMILES[H]/N=C(C)/C(=C/C=C(\C)CC=C)CF
InChIInChI=1S/C11H16FN/c1-4-5-9(2)6-7-11(8-12)10(3)13/h4,6-7,13H,1,5,8H2,2-3H3/b9-6+,11-7+,13-10+
InChIKeyLXAYAGNVVKJLHV-BIAKRINMSA-N
MW181.25 g/mol
LogP3.44
Rot. Bonds5

About (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine

(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine (PubChem CID 174316429) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine
PubChem CID174316429
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine
SMILES[H]/N=C(C)/C(=C/C=C(\C)CC=C)CF
InChIInChI=1S/C11H16FN/c1-4-5-9(2)6-7-11(8-12)10(3)13/h4,6-7,13H,1,5,8H2,2-3H3/b9-6+,11-7+,13-10+
InChIKeyLXAYAGNVVKJLHV-BIAKRINMSA-N
XLogP3.44
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine?
The IUPAC name of (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine (CID 174316429) is (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine.
What is the SMILES notation for (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine?
The canonical SMILES for (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine is [H]/N=C(C)/C(=C/C=C(\C)CC=C)CF.
What is the InChIKey of (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine?
The InChIKey is LXAYAGNVVKJLHV-BIAKRINMSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-5-9(2)6-7-11(8-12)10(3)13/h4,6-7,13H,1,5,8H2,2-3H3/b9-6+,11-7+,13-10+.
What are the key properties of (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine?
(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine has a molecular weight of 181.25 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine is sourced from PubChem (CID 174316429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).