(3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine

C8H12FN — CID 145466323

IUPAC(3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(=C)F)N(C)C
InChIInChI=1S/C8H12FN/c1-5-8(10(3)4)6-7(2)9/h5-6H,1-2H2,3-4H3/b8-6+
InChIKeyOSXYADRJLKQZMU-SOFGYWHQSA-N
MW141.19 g/mol
LogP2.10
Rot. Bonds3

About (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine

(3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine (PubChem CID 145466323) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine
PubChem CID145466323
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(=C\C(=C)F)N(C)C
InChIInChI=1S/C8H12FN/c1-5-8(10(3)4)6-7(2)9/h5-6H,1-2H2,3-4H3/b8-6+
InChIKeyOSXYADRJLKQZMU-SOFGYWHQSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
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 (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine (CID 145466323) is (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine is C=C/C(=C\C(=C)F)N(C)C.
What is the InChIKey of (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine?
The InChIKey is OSXYADRJLKQZMU-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-8(10(3)4)6-7(2)9/h5-6H,1-2H2,3-4H3/b8-6+.
What are the key properties of (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine?
(3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine has a molecular weight of 141.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 145466323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).