1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene

C12H17FO3 — CID 103413941

IUPAC1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
SMILESCOCCOCCCOc1ccccc1F
InChIInChI=1S/C12H17FO3/c1-14-9-10-15-7-4-8-16-12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10H2,1H3
InChIKeyQVWPRUXSXMJKJJ-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.26
Rot. Bonds8

About 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene

1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene (PubChem CID 103413941) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene.

Molecular Properties

Compound Name1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
PubChem CID103413941
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
SMILESCOCCOCCCOc1ccccc1F
InChIInChI=1S/C12H17FO3/c1-14-9-10-15-7-4-8-16-12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10H2,1H3
InChIKeyQVWPRUXSXMJKJJ-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
1-[2-(2-chloroethoxy)ethoxy]-2-fluorobenzene
CID 63663798
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
2-fluoro-6-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177656
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410324
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
trifluoro-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boranuide
CID 103410551
[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid
CID 103410549

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene?
The IUPAC name of 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene (CID 103413941) is 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene.
What is the SMILES notation for 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene?
The canonical SMILES for 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene is COCCOCCCOc1ccccc1F.
What is the InChIKey of 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene?
The InChIKey is QVWPRUXSXMJKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-14-9-10-15-7-4-8-16-12-6-3-2-5-11(12)13/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene?
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene has a molecular weight of 228.26 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene is sourced from PubChem (CID 103413941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).