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

C8H12FN — CID 176946297

IUPAC(3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(C)=C(/NF)C(=C)C
InChIInChI=1S/C8H12FN/c1-5-7(4)8(10-9)6(2)3/h5,10H,1-2H2,3-4H3/b8-7+
InChIKeyJXXBUEJONJCNKQ-BQYQJAHWSA-N
MW141.19 g/mol
LogP2.50
Rot. Bonds3

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

(3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine (PubChem CID 176946297) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine
PubChem CID176946297
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(C)=C(/NF)C(=C)C
InChIInChI=1S/C8H12FN/c1-5-7(4)8(10-9)6(2)3/h5,10H,1-2H2,3-4H3/b8-7+
InChIKeyJXXBUEJONJCNKQ-BQYQJAHWSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 68229473
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3Z,5Z)-1-fluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
CID 89170034
(3E,5Z)-4-(difluoromethyl)octa-3,5,7-trien-3-amine
CID 89205392
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine
CID 121264680
(3E,4E)-3-ethylidene-5-fluoro-N-iodohexa-1,4-dien-2-amine
CID 122418604
(3Z,5Z,7E)-8-fluoro-2,3-dimethylnona-1,3,5,7-tetraen-4-amine
CID 126548960
(3E,5E)-5-fluoro-2-methylhepta-1,3,5-trien-3-amine
CID 129169854
(2Z,4E,6E)-8,8,8-trifluoro-3,7-dimethylocta-2,4,6-trien-4-amine
CID 130242697

Frequently Asked Questions

What is the IUPAC name of (3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine (CID 176946297) is (3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine is C=C/C(C)=C(/NF)C(=C)C.
What is the InChIKey of (3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine?
The InChIKey is JXXBUEJONJCNKQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-7(4)8(10-9)6(2)3/h5,10H,1-2H2,3-4H3/b8-7+.
What are the key properties of (3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine?
(3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine has a molecular weight of 141.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-fluoro-2,4-dimethylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 176946297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).