(2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine

C8H11FIN — CID 89112659

IUPAC(2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine
SMILESC/C(N)=C\C=C(I)/C=C(\C)F
InChIInChI=1S/C8H11FIN/c1-6(9)5-8(10)4-3-7(2)11/h3-5H,11H2,1-2H3/b6-5+,7-3+,8-4+
InChIKeySCBJDRQMYSWJNF-PTKURJLQSA-N
MW267.08 g/mol
LogP3.04
Rot. Bonds2

About (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine

(2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine (PubChem CID 89112659) has the molecular formula C8H11FIN and a molecular weight of 267.08 g/mol. Its IUPAC name is (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine
PubChem CID89112659
Molecular FormulaC8H11FIN
Molecular Weight267.08 g/mol
Exact Mass266.99
IUPAC Name(2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine
SMILESC/C(N)=C\C=C(I)/C=C(\C)F
InChIInChI=1S/C8H11FIN/c1-6(9)5-8(10)4-3-7(2)11/h3-5H,11H2,1-2H3/b6-5+,7-3+,8-4+
InChIKeySCBJDRQMYSWJNF-PTKURJLQSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine (CID 89112659) is (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine is C/C(N)=C\C=C(I)/C=C(\C)F.
What is the InChIKey of (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine?
The InChIKey is SCBJDRQMYSWJNF-PTKURJLQSA-N. The full InChI is InChI=1S/C8H11FIN/c1-6(9)5-8(10)4-3-7(2)11/h3-5H,11H2,1-2H3/b6-5+,7-3+,8-4+.
What are the key properties of (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine?
(2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine has a molecular weight of 267.08 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-7-fluoro-5-iodoocta-2,4,6-trien-2-amine is sourced from PubChem (CID 89112659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).