(3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine

C7H8FN — CID 162723464

IUPAC(3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine
SMILES[H]/N=C/C(=C)/C=C(/F)C=C
InChIInChI=1S/C7H8FN/c1-3-7(8)4-6(2)5-9/h3-5,9H,1-2H2/b7-4+,9-5+
InChIKeyQOHUMZQDBKCGRO-XCIOYXGDSA-N
MW125.15 g/mol
LogP2.23
Rot. Bonds3

About (3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine

(3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine (PubChem CID 162723464) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine.

Molecular Properties

Compound Name(3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine
PubChem CID162723464
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine
SMILES[H]/N=C/C(=C)/C=C(/F)C=C
InChIInChI=1S/C7H8FN/c1-3-7(8)4-6(2)5-9/h3-5,9H,1-2H2/b7-4+,9-5+
InChIKeyQOHUMZQDBKCGRO-XCIOYXGDSA-N
XLogP2.23
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 52.23
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)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine?
The IUPAC name of (3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine (CID 162723464) is (3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine.
What is the SMILES notation for (3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine?
The canonical SMILES for (3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine is [H]/N=C/C(=C)/C=C(/F)C=C.
What is the InChIKey of (3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine?
The InChIKey is QOHUMZQDBKCGRO-XCIOYXGDSA-N. The full InChI is InChI=1S/C7H8FN/c1-3-7(8)4-6(2)5-9/h3-5,9H,1-2H2/b7-4+,9-5+.
What are the key properties of (3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine?
(3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine has a molecular weight of 125.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-2-methylidenehexa-3,5-dien-1-imine is sourced from PubChem (CID 162723464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).