(2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine

C10H14FN — CID 169166390

IUPAC(2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C(C)/C(F)=C\C=C/CC
InChIInChI=1S/C10H14FN/c1-3-4-5-6-10(11)9(2)7-8-12/h4-8,12H,3H2,1-2H3/b5-4-,9-7+,10-6+,12-8+
InChIKeyMQPSZMABBLXOBI-NPTBOGAVSA-N
MW167.23 g/mol
LogP3.40
Rot. Bonds4

About (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine

(2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine (PubChem CID 169166390) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine
PubChem CID169166390
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C(C)/C(F)=C\C=C/CC
InChIInChI=1S/C10H14FN/c1-3-4-5-6-10(11)9(2)7-8-12/h4-8,12H,3H2,1-2H3/b5-4-,9-7+,10-6+,12-8+
InChIKeyMQPSZMABBLXOBI-NPTBOGAVSA-N
XLogP3.40
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.40
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 (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine?
The IUPAC name of (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine (CID 169166390) is (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine.
What is the SMILES notation for (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine?
The canonical SMILES for (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine is [H]/N=C/C=C(C)/C(F)=C\C=C/CC.
What is the InChIKey of (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine?
The InChIKey is MQPSZMABBLXOBI-NPTBOGAVSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-4-5-6-10(11)9(2)7-8-12/h4-8,12H,3H2,1-2H3/b5-4-,9-7+,10-6+,12-8+.
What are the key properties of (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine?
(2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine has a molecular weight of 167.23 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-4-fluoro-3-methylnona-2,4,6-trien-1-imine is sourced from PubChem (CID 169166390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).