7-fluoro-3-methylcyclohepta-1,3,5-triene

C8H9F — CID 126632943

IUPAC7-fluoro-3-methylcyclohepta-1,3,5-triene
SMILESCC1=CC=CC(F)C=C1
InChIInChI=1S/C8H9F/c1-7-3-2-4-8(9)6-5-7/h2-6,8H,1H3
InChIKeyKZUWBKPZVFOWRU-UHFFFAOYSA-N
MW124.16 g/mol
LogP2.40
Rot. Bonds

About 7-fluoro-3-methylcyclohepta-1,3,5-triene

7-fluoro-3-methylcyclohepta-1,3,5-triene (PubChem CID 126632943) has the molecular formula C8H9F and a molecular weight of 124.16 g/mol. Its IUPAC name is 7-fluoro-3-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-fluoro-3-methylcyclohepta-1,3,5-triene
PubChem CID126632943
Molecular FormulaC8H9F
Molecular Weight124.16 g/mol
Exact Mass124.07
IUPAC Name7-fluoro-3-methylcyclohepta-1,3,5-triene
SMILESCC1=CC=CC(F)C=C1
InChIInChI=1S/C8H9F/c1-7-3-2-4-8(9)6-5-7/h2-6,8H,1H3
InChIKeyKZUWBKPZVFOWRU-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methylcyclohepta-1,3,5-triene?
The IUPAC name of 7-fluoro-3-methylcyclohepta-1,3,5-triene (CID 126632943) is 7-fluoro-3-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7-fluoro-3-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 7-fluoro-3-methylcyclohepta-1,3,5-triene is CC1=CC=CC(F)C=C1.
What is the InChIKey of 7-fluoro-3-methylcyclohepta-1,3,5-triene?
The InChIKey is KZUWBKPZVFOWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F/c1-7-3-2-4-8(9)6-5-7/h2-6,8H,1H3.
What are the key properties of 7-fluoro-3-methylcyclohepta-1,3,5-triene?
7-fluoro-3-methylcyclohepta-1,3,5-triene has a molecular weight of 124.16 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 126632943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).