6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde

C7H6FIO — CID 87483986

IUPAC6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC=CC1(F)I
InChIInChI=1S/C7H6FIO/c8-7(9)4-2-1-3-6(7)5-10/h1-6H
InChIKeyJVVKJJFIWJEVFC-UHFFFAOYSA-N
MW252.03 g/mol
LogP2.03
Rot. Bonds1

About 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde

6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 87483986) has the molecular formula C7H6FIO and a molecular weight of 252.03 g/mol. Its IUPAC name is 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde
PubChem CID87483986
Molecular FormulaC7H6FIO
Molecular Weight252.03 g/mol
Exact Mass251.94
IUPAC Name6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1C=CC=CC1(F)I
InChIInChI=1S/C7H6FIO/c8-7(9)4-2-1-3-6(7)5-10/h1-6H
InChIKeyJVVKJJFIWJEVFC-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.03
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dihydrobenzaldehyd
CID 12679825
1,3-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 18407279
1-Fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 21082201
1,4-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 23028752
4,5-Difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde
CID 87537612
4-Fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 89042589
3-Fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 89298535
1,6-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 89823001
(1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 129173671
1,5-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 141289456
2-Fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 143944641
6-Fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 149584540

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde (CID 87483986) is 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde is O=CC1C=CC=CC1(F)I.
What is the InChIKey of 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is JVVKJJFIWJEVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIO/c8-7(9)4-2-1-3-6(7)5-10/h1-6H.
What are the key properties of 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde?
6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 252.03 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 87483986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).