(3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine

C7H8F3N — CID 89214739

IUPAC(3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine
SMILESC=C(F)/C(N)=C(F)\C=C(/C)F
InChIInChI=1S/C7H8F3N/c1-4(8)3-6(10)7(11)5(2)9/h3H,2,11H2,1H3/b4-3+,7-6-
InChIKeyWPQWTBAYXUROAR-FDTUMDBZSA-N
MW163.14 g/mol
LogP2.48
Rot. Bonds2

About (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine

(3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine (PubChem CID 89214739) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine
PubChem CID89214739
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine
SMILESC=C(F)/C(N)=C(F)\C=C(/C)F
InChIInChI=1S/C7H8F3N/c1-4(8)3-6(10)7(11)5(2)9/h3H,2,11H2,1H3/b4-3+,7-6-
InChIKeyWPQWTBAYXUROAR-FDTUMDBZSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine (CID 89214739) is (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine is C=C(F)/C(N)=C(F)\C=C(/C)F.
What is the InChIKey of (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine?
The InChIKey is WPQWTBAYXUROAR-FDTUMDBZSA-N. The full InChI is InChI=1S/C7H8F3N/c1-4(8)3-6(10)7(11)5(2)9/h3H,2,11H2,1H3/b4-3+,7-6-.
What are the key properties of (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine?
(3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine has a molecular weight of 163.14 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2,4,6-trifluorohepta-1,3,5-trien-3-amine is sourced from PubChem (CID 89214739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).