5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene

C8H7F — CID 123683301

IUPAC5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene
SMILESCC1=C=CC=C(F)C=C1
InChIInChI=1S/C8H7F/c1-7-3-2-4-8(9)6-5-7/h2,4-6H,1H3
InChIKeyTZUJOBBQXZVBNU-UHFFFAOYSA-N
MW122.14 g/mol
LogP2.51
Rot. Bonds

About 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene

5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene (PubChem CID 123683301) has the molecular formula C8H7F and a molecular weight of 122.14 g/mol. Its IUPAC name is 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene
PubChem CID123683301
Molecular FormulaC8H7F
Molecular Weight122.14 g/mol
Exact Mass122.05
IUPAC Name5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene
SMILESCC1=C=CC=C(F)C=C1
InChIInChI=1S/C8H7F/c1-7-3-2-4-8(9)6-5-7/h2,4-6H,1H3
InChIKeyTZUJOBBQXZVBNU-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Dimethylhexadiene
CID 6365525
3,7,7-Trimethyl1,3,5-cycloheptatriene
CID 576718
Cosmene
CID 5368451
7-Methylene-1,3,5-cycloheptatriene
CID 136351
2,5-Dimethyl-1,3,5-hexatriene
CID 5463210
(3E,5Z)-2,6-dimethylocta-1,3,5,7-tetraene
CID 12304092
(E)-2,4-Hexadiene, 2,3-dimethyl-
CID 5368953
2,6-Dimethyl-1,3,5,7-Octatetraene
CID 562418
(E,E)-1,3,5-Heptatriene, 5-methyl-
CID 5463334
1-Fluoro-3,6-dimethylidenecyclohexa-1,4-diene
CID 22182860
Fluorcycloheptatrien
CID 123570484
Isopropenyl Isopren
CID 21024

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene?
The IUPAC name of 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene (CID 123683301) is 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene is CC1=C=CC=C(F)C=C1.
What is the InChIKey of 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene?
The InChIKey is TZUJOBBQXZVBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F/c1-7-3-2-4-8(9)6-5-7/h2,4-6H,1H3.
What are the key properties of 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene?
5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene has a molecular weight of 122.14 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylcyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 123683301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).