5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene

C9H13F — CID 123554362

IUPAC5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene
SMILESCCC1C=CC(F)=CC1C
InChIInChI=1S/C9H13F/c1-3-8-4-5-9(10)6-7(8)2/h4-8H,3H2,1-2H3
InChIKeySNOOKJYCCOJXLU-UHFFFAOYSA-N
MW140.20 g/mol
LogP3.07
Rot. Bonds1

About 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene

5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene (PubChem CID 123554362) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene
PubChem CID123554362
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene
SMILESCCC1C=CC(F)=CC1C
InChIInChI=1S/C9H13F/c1-3-8-4-5-9(10)6-7(8)2/h4-8H,3H2,1-2H3
InChIKeySNOOKJYCCOJXLU-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene (CID 123554362) is 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene is CCC1C=CC(F)=CC1C.
What is the InChIKey of 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene?
The InChIKey is SNOOKJYCCOJXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-3-8-4-5-9(10)6-7(8)2/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene?
5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene has a molecular weight of 140.20 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123554362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).