2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene

C8H10FI — CID 118912038

IUPAC2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene
SMILESCCC1=CCC(I)C=C1F
InChIInChI=1S/C8H10FI/c1-2-6-3-4-7(10)5-8(6)9/h3,5,7H,2,4H2,1H3
InChIKeyTZXLSWXSCSXRJO-UHFFFAOYSA-N
MW252.07 g/mol
LogP3.38
Rot. Bonds1

About 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene

2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene (PubChem CID 118912038) has the molecular formula C8H10FI and a molecular weight of 252.07 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene
PubChem CID118912038
Molecular FormulaC8H10FI
Molecular Weight252.07 g/mol
Exact Mass251.98
IUPAC Name2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene
SMILESCCC1=CCC(I)C=C1F
InChIInChI=1S/C8H10FI/c1-2-6-3-4-7(10)5-8(6)9/h3,5,7H,2,4H2,1H3
InChIKeyTZXLSWXSCSXRJO-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Fluoro-4-methyl-3,6-dimethylidenecyclohexa-1,4-diene
CID 134898023
(5Z)-5-ethylidene-2-fluorocyclohexa-1,3-diene
CID 14201730
2-Ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
2-Fluoro-3-methylcyclohexa-1,3-diene
CID 21248419
3-Ethyl-1,2-difluorocyclohexa-1,3-diene
CID 21664669
1-Fluoro-3-methylcyclohexa-1,3-diene
CID 22096560
2-Fluoro-1,3-dimethylcyclohexa-1,3-diene
CID 23511545
(6R)-2-fluoro-5-(iodomethyl)-6-methylcyclohexa-1,3-diene
CID 67991635
1-Fluoro-2,4-dimethylcyclohexa-1,3-diene
CID 68023893
5-Fluoro-6-iodo-1,4-dimethylcyclohexa-1,3-diene
CID 68098773
3-Fluoro-6-(2-iodoethyl)-1-methylcyclohexa-1,3-diene
CID 68334417
(5S)-1,6-difluoro-5-iodo-4-methylcyclohexa-1,3-diene
CID 68336746

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene?
The IUPAC name of 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene (CID 118912038) is 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene.
What is the SMILES notation for 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene?
The canonical SMILES for 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene is CCC1=CCC(I)C=C1F.
What is the InChIKey of 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene?
The InChIKey is TZXLSWXSCSXRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FI/c1-2-6-3-4-7(10)5-8(6)9/h3,5,7H,2,4H2,1H3.
What are the key properties of 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene?
2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene has a molecular weight of 252.07 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-5-iodocyclohexa-1,3-diene is sourced from PubChem (CID 118912038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).