(3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine

C10H12FN — CID 145324654

IUPAC(3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine
SMILES[H]/N=C/C(=C)/C(C=C)=C/C(F)=C\C
InChIInChI=1S/C10H12FN/c1-4-9(8(3)7-12)6-10(11)5-2/h4-7,12H,1,3H2,2H3/b9-6+,10-5+,12-7+
InChIKeyQRPKRNBZHOXKDX-JNZZVHFRSA-N
MW165.21 g/mol
LogP3.18
Rot. Bonds4

About (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine

(3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine (PubChem CID 145324654) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine
PubChem CID145324654
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine
SMILES[H]/N=C/C(=C)/C(C=C)=C/C(F)=C\C
InChIInChI=1S/C10H12FN/c1-4-9(8(3)7-12)6-10(11)5-2/h4-7,12H,1,3H2,2H3/b9-6+,10-5+,12-7+
InChIKeyQRPKRNBZHOXKDX-JNZZVHFRSA-N
XLogP3.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 53.18
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 (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine?
The IUPAC name of (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine (CID 145324654) is (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine.
What is the SMILES notation for (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine?
The canonical SMILES for (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine is [H]/N=C/C(=C)/C(C=C)=C/C(F)=C\C.
What is the InChIKey of (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine?
The InChIKey is QRPKRNBZHOXKDX-JNZZVHFRSA-N. The full InChI is InChI=1S/C10H12FN/c1-4-9(8(3)7-12)6-10(11)5-2/h4-7,12H,1,3H2,2H3/b9-6+,10-5+,12-7+.
What are the key properties of (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine?
(3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine has a molecular weight of 165.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-ethenyl-5-fluoro-2-methylidenehepta-3,5-dien-1-imine is sourced from PubChem (CID 145324654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).