(E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine

C8H11FIN — CID 118312713

IUPAC(E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine
SMILESC=C(C)/N=C/C(F)=C(\I)CC
InChIInChI=1S/C8H11FIN/c1-4-8(10)7(9)5-11-6(2)3/h5H,2,4H2,1,3H3/b8-7+,11-5+
InChIKeyXLXILYCJDMMTCY-VAZWZHNFSA-N
MW267.08 g/mol
LogP3.62
Rot. Bonds3

About (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine

(E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine (PubChem CID 118312713) has the molecular formula C8H11FIN and a molecular weight of 267.08 g/mol. Its IUPAC name is (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine
PubChem CID118312713
Molecular FormulaC8H11FIN
Molecular Weight267.08 g/mol
Exact Mass266.99
IUPAC Name(E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine
SMILESC=C(C)/N=C/C(F)=C(\I)CC
InChIInChI=1S/C8H11FIN/c1-4-8(10)7(9)5-11-6(2)3/h5H,2,4H2,1,3H3/b8-7+,11-5+
InChIKeyXLXILYCJDMMTCY-VAZWZHNFSA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine?
The IUPAC name of (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine (CID 118312713) is (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine.
What is the SMILES notation for (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine?
The canonical SMILES for (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine is C=C(C)/N=C/C(F)=C(\I)CC.
What is the InChIKey of (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine?
The InChIKey is XLXILYCJDMMTCY-VAZWZHNFSA-N. The full InChI is InChI=1S/C8H11FIN/c1-4-8(10)7(9)5-11-6(2)3/h5H,2,4H2,1,3H3/b8-7+,11-5+.
What are the key properties of (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine?
(E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine has a molecular weight of 267.08 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-iodo-N-prop-1-en-2-ylpent-2-en-1-imine is sourced from PubChem (CID 118312713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).