4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene

C13H19FO2 — CID 168968780

IUPAC4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene
SMILESCCc1ccc(OCCOC(C)C)c(F)c1
InChIInChI=1S/C13H19FO2/c1-4-11-5-6-13(12(14)9-11)16-8-7-15-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyGZMDTTRXHNLWRW-UHFFFAOYSA-N
MW226.29 g/mol
LogP3.19
Rot. Bonds6

About 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene

4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene (PubChem CID 168968780) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene.

Molecular Properties

Compound Name4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene
PubChem CID168968780
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene
SMILESCCc1ccc(OCCOC(C)C)c(F)c1
InChIInChI=1S/C13H19FO2/c1-4-11-5-6-13(12(14)9-11)16-8-7-15-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyGZMDTTRXHNLWRW-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene 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 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene?
The IUPAC name of 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene (CID 168968780) is 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene.
What is the SMILES notation for 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene?
The canonical SMILES for 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene is CCc1ccc(OCCOC(C)C)c(F)c1.
What is the InChIKey of 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene?
The InChIKey is GZMDTTRXHNLWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-4-11-5-6-13(12(14)9-11)16-8-7-15-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene?
4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene has a molecular weight of 226.29 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene is sourced from PubChem (CID 168968780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).