(1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine

C8H12FN — CID 139426936

IUPAC(1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine
SMILESC=C(/C=C/F)C/C=C\NC
InChIInChI=1S/C8H12FN/c1-8(5-6-9)4-3-7-10-2/h3,5-7,10H,1,4H2,2H3/b6-5+,7-3-
InChIKeyBUKWKLGBDPQFKL-UDQYSLBASA-N
MW141.19 g/mol
LogP2.15
Rot. Bonds4

About (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine

(1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine (PubChem CID 139426936) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine
PubChem CID139426936
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine
SMILESC=C(/C=C/F)C/C=C\NC
InChIInChI=1S/C8H12FN/c1-8(5-6-9)4-3-7-10-2/h3,5-7,10H,1,4H2,2H3/b6-5+,7-3-
InChIKeyBUKWKLGBDPQFKL-UDQYSLBASA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine?
The IUPAC name of (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine (CID 139426936) is (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine.
What is the SMILES notation for (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine?
The canonical SMILES for (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine is C=C(/C=C/F)C/C=C\NC.
What is the InChIKey of (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine?
The InChIKey is BUKWKLGBDPQFKL-UDQYSLBASA-N. The full InChI is InChI=1S/C8H12FN/c1-8(5-6-9)4-3-7-10-2/h3,5-7,10H,1,4H2,2H3/b6-5+,7-3-.
What are the key properties of (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine?
(1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5E)-6-fluoro-N-methyl-4-methylidenehexa-1,5-dien-1-amine is sourced from PubChem (CID 139426936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).