(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine

C7H12FN — CID 89073527

IUPAC(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
SMILESCN/C(C)=C\C=C(/C)F
InChIInChI=1S/C7H12FN/c1-6(8)4-5-7(2)9-3/h4-5,9H,1-3H3/b6-4+,7-5-
InChIKeyPBEZTMSFKCUFDY-GUBXDBFYSA-N
MW129.18 g/mol
LogP1.98
Rot. Bonds2

About (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine

(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine (PubChem CID 89073527) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
PubChem CID89073527
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
SMILESCN/C(C)=C\C=C(/C)F
InChIInChI=1S/C7H12FN/c1-6(8)4-5-7(2)9-3/h4-5,9H,1-3H3/b6-4+,7-5-
InChIKeyPBEZTMSFKCUFDY-GUBXDBFYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.98
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 (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine (CID 89073527) is (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine is CN/C(C)=C\C=C(/C)F.
What is the InChIKey of (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine?
The InChIKey is PBEZTMSFKCUFDY-GUBXDBFYSA-N. The full InChI is InChI=1S/C7H12FN/c1-6(8)4-5-7(2)9-3/h4-5,9H,1-3H3/b6-4+,7-5-.
What are the key properties of (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine?
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine has a molecular weight of 129.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 89073527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).