5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene

C9H11F — CID 134365600

IUPAC5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene
SMILESCC1=CCC=C(F)C=C1C
InChIInChI=1S/C9H11F/c1-7-4-3-5-9(10)6-8(7)2/h4-6H,3H2,1-2H3
InChIKeyIGFXDWAVQAFYAM-UHFFFAOYSA-N
MW138.18 g/mol
LogP3.14
Rot. Bonds

About 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene

5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene (PubChem CID 134365600) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene
PubChem CID134365600
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Name5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene
SMILESCC1=CCC=C(F)C=C1C
InChIInChI=1S/C9H11F/c1-7-4-3-5-9(10)6-8(7)2/h4-6H,3H2,1-2H3
InChIKeyIGFXDWAVQAFYAM-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene?
The IUPAC name of 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene (CID 134365600) is 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene is CC1=CCC=C(F)C=C1C.
What is the InChIKey of 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene?
The InChIKey is IGFXDWAVQAFYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c1-7-4-3-5-9(10)6-8(7)2/h4-6H,3H2,1-2H3.
What are the key properties of 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene?
5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene has a molecular weight of 138.18 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 134365600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).