3-fluoro-4-iodohex-3-ene

C6H10FI — CID 85441116

IUPAC3-fluoro-4-iodohex-3-ene
SMILESCCC(F)=C(I)CC
InChIInChI=1S/C6H10FI/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
InChIKeyLQVHFUHETVOJTR-UHFFFAOYSA-N
MW228.05 g/mol
LogP3.42
Rot. Bonds2

About 3-fluoro-4-iodohex-3-ene

3-fluoro-4-iodohex-3-ene (PubChem CID 85441116) has the molecular formula C6H10FI and a molecular weight of 228.05 g/mol. Its IUPAC name is 3-fluoro-4-iodohex-3-ene.

Molecular Properties

Compound Name3-fluoro-4-iodohex-3-ene
PubChem CID85441116
Molecular FormulaC6H10FI
Molecular Weight228.05 g/mol
Exact Mass227.98
IUPAC Name3-fluoro-4-iodohex-3-ene
SMILESCCC(F)=C(I)CC
InChIInChI=1S/C6H10FI/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
InChIKeyLQVHFUHETVOJTR-UHFFFAOYSA-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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Related Compounds

(Z,4R)-4-fluoro-2-iodopent-2-ene
CID 135011838
(E)-3-fluoro-4-iodohex-3-ene
CID 12545933
(E)-3-fluoro-2-iodohex-2-ene
CID 118312674
[(E)-2-fluoropent-2-enylidene]-methyl-lambda3-iodane
CID 149582129
[(Z)-2-fluoropent-2-en-3-yl]-methylidene-lambda3-iodane
CID 163746619
(E)-3-fluoro-5-iodopent-2-ene
CID 167081248
(E)-3,4-diiodohex-3-ene
CID 12616830
(E)-2,3-diiodopent-2-ene
CID 23650030
(E)-4-fluoro-5-iodooct-4-ene
CID 11601297
(Z,4S)-4-fluoro-2-iodopent-2-ene
CID 119096263

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-iodohex-3-ene?
The IUPAC name of 3-fluoro-4-iodohex-3-ene (CID 85441116) is 3-fluoro-4-iodohex-3-ene.
What is the SMILES notation for 3-fluoro-4-iodohex-3-ene?
The canonical SMILES for 3-fluoro-4-iodohex-3-ene is CCC(F)=C(I)CC.
What is the InChIKey of 3-fluoro-4-iodohex-3-ene?
The InChIKey is LQVHFUHETVOJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FI/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3.
What are the key properties of 3-fluoro-4-iodohex-3-ene?
3-fluoro-4-iodohex-3-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 3-fluoro-4-iodohex-3-ene is sourced from PubChem (CID 85441116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).