(3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine

C7H10FN — CID 143206290

IUPAC(3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C/C(F)=C\C(=C)NC
InChIInChI=1S/C7H10FN/c1-4-7(8)5-6(2)9-3/h4-5,9H,1-2H2,3H3/b7-5+
InChIKeyGSIJRIFAWVCIEA-FNORWQNLSA-N
MW127.16 g/mol
LogP1.76
Rot. Bonds3

About (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine

(3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine (PubChem CID 143206290) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine
PubChem CID143206290
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C/C(F)=C\C(=C)NC
InChIInChI=1S/C7H10FN/c1-4-7(8)5-6(2)9-3/h4-5,9H,1-2H2,3H3/b7-5+
InChIKeyGSIJRIFAWVCIEA-FNORWQNLSA-N
XLogP1.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1H-azepin-4-amine
CID 68716508
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
2-Fluoro-1,2-dihydropyridin-4-amine
CID 89060898
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
CID 89336329
(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine
CID 90222218
2-Fluoro-6-methyl-1,2-dihydropyridine
CID 90305541
4-fluoro-N-methylcyclopenta-1,4-dien-1-amine
CID 117753845
(2E,4Z)-6-fluorohepta-2,4,6-trien-3-amine
CID 117792003
3-Fluoro-6-methyl-1,2-dihydropyridine
CID 118486766
5-Fluoro-6-methyl-1,2-dihydropyridine
CID 121322294

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine (CID 143206290) is (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine is C=C/C(F)=C\C(=C)NC.
What is the InChIKey of (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine?
The InChIKey is GSIJRIFAWVCIEA-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-7(8)5-6(2)9-3/h4-5,9H,1-2H2,3H3/b7-5+.
What are the key properties of (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine?
(3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine has a molecular weight of 127.16 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-N-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143206290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).