2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene

C17H18F2O2 — CID 137452329

IUPAC2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene
SMILESCCOc1cc(CCCOc2ccccc2F)ccc1F
InChIInChI=1S/C17H18F2O2/c1-2-20-17-12-13(9-10-15(17)19)6-5-11-21-16-8-4-3-7-14(16)18/h3-4,7-10,12H,2,5-6,11H2,1H3
InChIKeyBNTKZTWHPKLCFG-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.38
Rot. Bonds7

About 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene

2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene (PubChem CID 137452329) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene.

Molecular Properties

Compound Name2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene
PubChem CID137452329
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene
SMILESCCOc1cc(CCCOc2ccccc2F)ccc1F
InChIInChI=1S/C17H18F2O2/c1-2-20-17-12-13(9-10-15(17)19)6-5-11-21-16-8-4-3-7-14(16)18/h3-4,7-10,12H,2,5-6,11H2,1H3
InChIKeyBNTKZTWHPKLCFG-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
1,2-diethoxy-4-(3-ethoxypropyl)benzene
CID 142643440
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
4-[2-(2-fluorophenoxy)ethyl]phenol
CID 154643282
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene?
The IUPAC name of 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene (CID 137452329) is 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene.
What is the SMILES notation for 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene?
The canonical SMILES for 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene is CCOc1cc(CCCOc2ccccc2F)ccc1F.
What is the InChIKey of 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene?
The InChIKey is BNTKZTWHPKLCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-2-20-17-12-13(9-10-15(17)19)6-5-11-21-16-8-4-3-7-14(16)18/h3-4,7-10,12H,2,5-6,11H2,1H3.
What are the key properties of 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene?
2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene has a molecular weight of 292.33 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-fluoro-4-[3-(2-fluorophenoxy)propyl]benzene is sourced from PubChem (CID 137452329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).