(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine

C7H8F3N — CID 89153748

IUPAC(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine
SMILESC=C(F)/C(F)=C\C=C(\N)CF
InChIInChI=1S/C7H8F3N/c1-5(9)7(10)3-2-6(11)4-8/h2-3H,1,4,11H2/b6-2+,7-3+
InChIKeyULGUWKYAXOHLRL-YPCIICBESA-N
MW163.14 g/mol
LogP2.14
Rot. Bonds3

About (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine

(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine (PubChem CID 89153748) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine
PubChem CID89153748
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine
SMILESC=C(F)/C(F)=C\C=C(\N)CF
InChIInChI=1S/C7H8F3N/c1-5(9)7(10)3-2-6(11)4-8/h2-3H,1,4,11H2/b6-2+,7-3+
InChIKeyULGUWKYAXOHLRL-YPCIICBESA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.14
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

(3E)-3-fluorohexa-1,3,5-trien-2-amine
CID 88544925
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(2Z,4Z)-5-fluoropenta-2,4-dien-2-amine
CID 89029579
(2E,4E)-5,6-difluorohexa-2,4-dien-2-amine
CID 89073850
(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
CID 89074081
(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
(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
CID 89336329
(2E,4E)-5-fluorohexa-2,4-dien-2-amine
CID 89336345
(3E,5E)-6-fluorohepta-1,3,5-trien-3-amine
CID 90222218
(2E,4Z)-6-fluorohepta-2,4,6-trien-3-amine
CID 117792003

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine (CID 89153748) is (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine is C=C(F)/C(F)=C\C=C(\N)CF.
What is the InChIKey of (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine?
The InChIKey is ULGUWKYAXOHLRL-YPCIICBESA-N. The full InChI is InChI=1S/C7H8F3N/c1-5(9)7(10)3-2-6(11)4-8/h2-3H,1,4,11H2/b6-2+,7-3+.
What are the key properties of (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine?
(2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine has a molecular weight of 163.14 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1,5,6-trifluorohepta-2,4,6-trien-2-amine is sourced from PubChem (CID 89153748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).