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

C10H13F — CID 70337297

IUPAC2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene
SMILESCCC1=CC(C)C=CC=C1F
InChIInChI=1S/C10H13F/c1-3-9-7-8(2)5-4-6-10(9)11/h4-8H,3H2,1-2H3
InChIKeyQSFRAIOQXPGSGW-UHFFFAOYSA-N
MW152.21 g/mol
LogP3.38
Rot. Bonds1

About 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene

2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene (PubChem CID 70337297) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene
PubChem CID70337297
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene
SMILESCCC1=CC(C)C=CC=C1F
InChIInChI=1S/C10H13F/c1-3-9-7-8(2)5-4-6-10(9)11/h4-8H,3H2,1-2H3
InChIKeyQSFRAIOQXPGSGW-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene?
The IUPAC name of 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene (CID 70337297) is 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene is CCC1=CC(C)C=CC=C1F.
What is the InChIKey of 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene?
The InChIKey is QSFRAIOQXPGSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F/c1-3-9-7-8(2)5-4-6-10(9)11/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene?
2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene has a molecular weight of 152.21 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-7-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 70337297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).