(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine

C10H12FN — CID 155049266

IUPAC(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
SMILES[H]/N=C(\C=C)C(=C)/C(F)=C\C=C/C
InChIInChI=1S/C10H12FN/c1-4-6-7-9(11)8(3)10(12)5-2/h4-7,12H,2-3H2,1H3/b6-4-,9-7+,12-10+
InChIKeyNAKIQUDNIKICRI-WRHCMGJHSA-N
MW165.21 g/mol
LogP3.18
Rot. Bonds4

About (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine

(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine (PubChem CID 155049266) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine.

Molecular Properties

Compound Name(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
PubChem CID155049266
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
SMILES[H]/N=C(\C=C)C(=C)/C(F)=C\C=C/C
InChIInChI=1S/C10H12FN/c1-4-6-7-9(11)8(3)10(12)5-2/h4-7,12H,2-3H2,1H3/b6-4-,9-7+,12-10+
InChIKeyNAKIQUDNIKICRI-WRHCMGJHSA-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 (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine?
The IUPAC name of (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine (CID 155049266) is (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine.
What is the SMILES notation for (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine?
The canonical SMILES for (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine is [H]/N=C(\C=C)C(=C)/C(F)=C\C=C/C.
What is the InChIKey of (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine?
The InChIKey is NAKIQUDNIKICRI-WRHCMGJHSA-N. The full InChI is InChI=1S/C10H12FN/c1-4-6-7-9(11)8(3)10(12)5-2/h4-7,12H,2-3H2,1H3/b6-4-,9-7+,12-10+.
What are the key properties of (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine?
(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-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 (5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine is sourced from PubChem (CID 155049266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).