(E)-3-fluoro-2-iodohex-2-ene

C6H10FI — CID 118312674

IUPAC(E)-3-fluoro-2-iodohex-2-ene
SMILESCCC/C(F)=C(/C)I
InChIInChI=1S/C6H10FI/c1-3-4-6(7)5(2)8/h3-4H2,1-2H3/b6-5+
InChIKeyNNZCKFGBBHRBEI-AATRIKPKSA-N
MW228.05 g/mol
LogP3.42
Rot. Bonds2

About (E)-3-fluoro-2-iodohex-2-ene

(E)-3-fluoro-2-iodohex-2-ene (PubChem CID 118312674) has the molecular formula C6H10FI and a molecular weight of 228.05 g/mol. Its IUPAC name is (E)-3-fluoro-2-iodohex-2-ene.

Molecular Properties

Compound Name(E)-3-fluoro-2-iodohex-2-ene
PubChem CID118312674
Molecular FormulaC6H10FI
Molecular Weight228.05 g/mol
Exact Mass227.98
IUPAC Name(E)-3-fluoro-2-iodohex-2-ene
SMILESCCC/C(F)=C(/C)I
InChIInChI=1S/C6H10FI/c1-3-4-6(7)5(2)8/h3-4H2,1-2H3/b6-5+
InChIKeyNNZCKFGBBHRBEI-AATRIKPKSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-iodohex-2-ene?
The IUPAC name of (E)-3-fluoro-2-iodohex-2-ene (CID 118312674) is (E)-3-fluoro-2-iodohex-2-ene.
What is the SMILES notation for (E)-3-fluoro-2-iodohex-2-ene?
The canonical SMILES for (E)-3-fluoro-2-iodohex-2-ene is CCC/C(F)=C(/C)I.
What is the InChIKey of (E)-3-fluoro-2-iodohex-2-ene?
The InChIKey is NNZCKFGBBHRBEI-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10FI/c1-3-4-6(7)5(2)8/h3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-3-fluoro-2-iodohex-2-ene?
(E)-3-fluoro-2-iodohex-2-ene has a molecular weight of 228.05 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-iodohex-2-ene is sourced from PubChem (CID 118312674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).