2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide

C7H10FI — CID 143792431

IUPAC2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
SMILESCC1C=CC(F)=CC1.I
InChIInChI=1S/C7H9F.HI/c1-6-2-4-7(8)5-3-6;/h2,4-6H,3H2,1H3;1H
InChIKeyIAFIEXVTZSEWDM-UHFFFAOYSA-N
MW240.06 g/mol
LogP3.05
Rot. Bonds

About 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide

2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide (PubChem CID 143792431) has the molecular formula C7H10FI and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide.

Molecular Properties

Compound Name2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
PubChem CID143792431
Molecular FormulaC7H10FI
Molecular Weight240.06 g/mol
Exact Mass239.98
IUPAC Name2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
SMILESCC1C=CC(F)=CC1.I
InChIInChI=1S/C7H9F.HI/c1-6-2-4-7(8)5-3-6;/h2,4-6H,3H2,1H3;1H
InChIKeyIAFIEXVTZSEWDM-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 53.05
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

(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 145306811
2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
CID 163641813
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
CID 144873837
1-fluoro-3-(4-methylcyclohexa-1,5-dien-1-yl)butan-2-amine
CID 134316623
5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
CID 163741635
(4-methylcyclohexa-1,5-dien-1-yl)diazene
CID 142980862
(5S)-6-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]-1,5-dimethylpiperidin-2-one
CID 70852566
2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 142950049
2-methyl-5-[2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]propan-2-yl]cyclohexa-1,3-diene
CID 163777121
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide?
The IUPAC name of 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide (CID 143792431) is 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide.
What is the SMILES notation for 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide?
The canonical SMILES for 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide is CC1C=CC(F)=CC1.I.
What is the InChIKey of 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide?
The InChIKey is IAFIEXVTZSEWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F.HI/c1-6-2-4-7(8)5-3-6;/h2,4-6H,3H2,1H3;1H.
What are the key properties of 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide?
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide has a molecular weight of 240.06 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide is sourced from PubChem (CID 143792431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).