(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine

C6H9F2N — CID 89073850

IUPAC(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(\F)CF
InChIInChI=1S/C6H9F2N/c1-5(9)2-3-6(8)4-7/h2-3H,4,9H2,1H3/b5-2+,6-3+
InChIKeyJIGSOAFLTKWJFD-BUSIMMOISA-N
MW133.14 g/mol
LogP1.67
Rot. Bonds2

About (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine

(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine (PubChem CID 89073850) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
PubChem CID89073850
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(\F)CF
InChIInChI=1S/C6H9F2N/c1-5(9)2-3-6(8)4-7/h2-3H,4,9H2,1H3/b5-2+,6-3+
InChIKeyJIGSOAFLTKWJFD-BUSIMMOISA-N
XLogP1.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.67
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

(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(2Z,4Z)-5-fluoropenta-2,4-dien-2-amine
CID 89029579
(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
CID 89074081
(2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine
CID 89112659
(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine
CID 89153748
(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-amine
CID 89189499
(3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine
CID 89214739
(2E,4E)-5-fluorohepta-2,4,6-trien-2-amine
CID 89259791
(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-amine
CID 89308011
(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
CID 89336329
(2E,4E)-5-fluorohexa-2,4-dien-2-amine
CID 89336345
(2E)-3-fluoropenta-2,4-dien-2-amine
CID 89416500

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine (CID 89073850) is (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine is C/C(N)=C\C=C(\F)CF.
What is the InChIKey of (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine?
The InChIKey is JIGSOAFLTKWJFD-BUSIMMOISA-N. The full InChI is InChI=1S/C6H9F2N/c1-5(9)2-3-6(8)4-7/h2-3H,4,9H2,1H3/b5-2+,6-3+.
What are the key properties of (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine?
(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine has a molecular weight of 133.14 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,6-difluorohexa-2,4-dien-2-amine is sourced from PubChem (CID 89073850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).