5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene

C9H11F — CID 18512700

IUPAC5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene
SMILESC=CC1(C)C=CC(F)=CC1
InChIInChI=1S/C9H11F/c1-3-9(2)6-4-8(10)5-7-9/h3-6H,1,7H2,2H3
InChIKeyLOAVXQCKIPZBNC-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.99
Rot. Bonds1

About 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene

5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene (PubChem CID 18512700) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene
PubChem CID18512700
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Name5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene
SMILESC=CC1(C)C=CC(F)=CC1
InChIInChI=1S/C9H11F/c1-3-9(2)6-4-8(10)5-7-9/h3-6H,1,7H2,2H3
InChIKeyLOAVXQCKIPZBNC-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene (CID 18512700) is 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene is C=CC1(C)C=CC(F)=CC1.
What is the InChIKey of 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene?
The InChIKey is LOAVXQCKIPZBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c1-3-9(2)6-4-8(10)5-7-9/h3-6H,1,7H2,2H3.
What are the key properties of 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene?
5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene has a molecular weight of 138.18 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-fluoro-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 18512700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).