2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene

C14H21FO — CID 178088930

IUPAC2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene
SMILESCCCC(OCC)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H21FO/c1-5-7-13(16-6-2)14-11(4)8-10(3)9-12(14)15/h8-9,13H,5-7H2,1-4H3
InChIKeyYHEYUBDHNZOMGH-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.32
Rot. Bonds5

About 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene

2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene (PubChem CID 178088930) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene
PubChem CID178088930
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene
SMILESCCCC(OCC)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H21FO/c1-5-7-13(16-6-2)14-11(4)8-10(3)9-12(14)15/h8-9,13H,5-7H2,1-4H3
InChIKeyYHEYUBDHNZOMGH-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
CID 106881995
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106883923
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106884137
[1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine
CID 106884293
2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106882935
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine
CID 106881429
3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol
CID 106881114
1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
CID 106884071

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene?
The IUPAC name of 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene (CID 178088930) is 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene.
What is the SMILES notation for 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene?
The canonical SMILES for 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene is CCCC(OCC)c1c(C)cc(C)cc1F.
What is the InChIKey of 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene?
The InChIKey is YHEYUBDHNZOMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-5-7-13(16-6-2)14-11(4)8-10(3)9-12(14)15/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene?
2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene has a molecular weight of 224.32 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-1-fluoro-3,5-dimethylbenzene is sourced from PubChem (CID 178088930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).