(1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine

C8H11FIN — CID 88563567

IUPAC(1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine
SMILESC=C(F)/C(CC)=C(I)\C=C/N
InChIInChI=1S/C8H11FIN/c1-3-7(6(2)9)8(10)4-5-11/h4-5H,2-3,11H2,1H3/b5-4-,8-7+
InChIKeySFURFLMUJOBLSY-KXKKYDSASA-N
MW267.08 g/mol
LogP3.04
Rot. Bonds3

About (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine

(1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine (PubChem CID 88563567) has the molecular formula C8H11FIN and a molecular weight of 267.08 g/mol. Its IUPAC name is (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine
PubChem CID88563567
Molecular FormulaC8H11FIN
Molecular Weight267.08 g/mol
Exact Mass266.99
IUPAC Name(1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine
SMILESC=C(F)/C(CC)=C(I)\C=C/N
InChIInChI=1S/C8H11FIN/c1-3-7(6(2)9)8(10)4-5-11/h4-5H,2-3,11H2,1H3/b5-4-,8-7+
InChIKeySFURFLMUJOBLSY-KXKKYDSASA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine (CID 88563567) is (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine is C=C(F)/C(CC)=C(I)\C=C/N.
What is the InChIKey of (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine?
The InChIKey is SFURFLMUJOBLSY-KXKKYDSASA-N. The full InChI is InChI=1S/C8H11FIN/c1-3-7(6(2)9)8(10)4-5-11/h4-5H,2-3,11H2,1H3/b5-4-,8-7+.
What are the key properties of (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine?
(1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine has a molecular weight of 267.08 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-ethyl-5-fluoro-3-iodohexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88563567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).