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

C7H10F3N — CID 89074179

IUPAC(5E)-2,4,6-trifluorohepta-1,5-dien-3-amine
SMILESC=C(F)C(N)C(F)/C=C(\C)F
InChIInChI=1S/C7H10F3N/c1-4(8)3-6(10)7(11)5(2)9/h3,6-7H,2,11H2,1H3/b4-3+
InChIKeyAQJDMYBBXMUOQW-ONEGZZNKSA-N
MW165.16 g/mol
LogP2.01
Rot. Bonds3

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

(5E)-2,4,6-trifluorohepta-1,5-dien-3-amine (PubChem CID 89074179) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (5E)-2,4,6-trifluorohepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-2,4,6-trifluorohepta-1,5-dien-3-amine
PubChem CID89074179
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(5E)-2,4,6-trifluorohepta-1,5-dien-3-amine
SMILESC=C(F)C(N)C(F)/C=C(\C)F
InChIInChI=1S/C7H10F3N/c1-4(8)3-6(10)7(11)5(2)9/h3,6-7H,2,11H2,1H3/b4-3+
InChIKeyAQJDMYBBXMUOQW-ONEGZZNKSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-2,4,6-trifluorohepta-1,5-dien-3-amine?
The IUPAC name of (5E)-2,4,6-trifluorohepta-1,5-dien-3-amine (CID 89074179) is (5E)-2,4,6-trifluorohepta-1,5-dien-3-amine.
What is the SMILES notation for (5E)-2,4,6-trifluorohepta-1,5-dien-3-amine?
The canonical SMILES for (5E)-2,4,6-trifluorohepta-1,5-dien-3-amine is C=C(F)C(N)C(F)/C=C(\C)F.
What is the InChIKey of (5E)-2,4,6-trifluorohepta-1,5-dien-3-amine?
The InChIKey is AQJDMYBBXMUOQW-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4(8)3-6(10)7(11)5(2)9/h3,6-7H,2,11H2,1H3/b4-3+.
What are the key properties of (5E)-2,4,6-trifluorohepta-1,5-dien-3-amine?
(5E)-2,4,6-trifluorohepta-1,5-dien-3-amine has a molecular weight of 165.16 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,4,6-trifluorohepta-1,5-dien-3-amine is sourced from PubChem (CID 89074179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).