(2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine

C8H12FN — CID 142803577

IUPAC(2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine
SMILESC=CC(/C=C(\C)F)=C(/C)N
InChIInChI=1S/C8H12FN/c1-4-8(7(3)10)5-6(2)9/h4-5H,1,10H2,2-3H3/b6-5+,8-7+
InChIKeyKQJOAJSOULKJEK-BSWSSELBSA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

About (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine

(2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine (PubChem CID 142803577) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine
PubChem CID142803577
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine
SMILESC=CC(/C=C(\C)F)=C(/C)N
InChIInChI=1S/C8H12FN/c1-4-8(7(3)10)5-6(2)9/h4-5H,1,10H2,2-3H3/b6-5+,8-7+
InChIKeyKQJOAJSOULKJEK-BSWSSELBSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.28
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-Amino-6-methylfulvene
CID 572231
2-Fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 68229473
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
CID 88963377
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile
CID 89148270
(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
(3Z,5Z)-1,1,1-trifluoro-2,2,5-trimethylocta-3,5,7-trien-3-amine
CID 89170111

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine (CID 142803577) is (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine is C=CC(/C=C(\C)F)=C(/C)N.
What is the InChIKey of (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine?
The InChIKey is KQJOAJSOULKJEK-BSWSSELBSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-8(7(3)10)5-6(2)9/h4-5H,1,10H2,2-3H3/b6-5+,8-7+.
What are the key properties of (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine?
(2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine has a molecular weight of 141.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-ethenyl-5-fluorohexa-2,4-dien-2-amine is sourced from PubChem (CID 142803577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).