5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene

C11H14F2O — CID 143548000

IUPAC5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene
SMILESCCc1cc(C)c(F)c(OCCF)c1
InChIInChI=1S/C11H14F2O/c1-3-9-6-8(2)11(13)10(7-9)14-5-4-12/h6-7H,3-5H2,1-2H3
InChIKeyMZWSARPIAVBDOX-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.04
Rot. Bonds4

About 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene

5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene (PubChem CID 143548000) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene.

Molecular Properties

Compound Name5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene
PubChem CID143548000
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene
SMILESCCc1cc(C)c(F)c(OCCF)c1
InChIInChI=1S/C11H14F2O/c1-3-9-6-8(2)11(13)10(7-9)14-5-4-12/h6-7H,3-5H2,1-2H3
InChIKeyMZWSARPIAVBDOX-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene?
The IUPAC name of 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene (CID 143548000) is 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene.
What is the SMILES notation for 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene?
The canonical SMILES for 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene is CCc1cc(C)c(F)c(OCCF)c1.
What is the InChIKey of 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene?
The InChIKey is MZWSARPIAVBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-3-9-6-8(2)11(13)10(7-9)14-5-4-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene?
5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene has a molecular weight of 200.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-1-(2-fluoroethoxy)-3-methylbenzene is sourced from PubChem (CID 143548000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).