4-(diethoxymethyl)-1-fluoro-2-methoxybenzene

C12H17FO3 — CID 146004738

IUPAC4-(diethoxymethyl)-1-fluoro-2-methoxybenzene
SMILESCCOC(OCC)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H17FO3/c1-4-15-12(16-5-2)9-6-7-10(13)11(8-9)14-3/h6-8,12H,4-5H2,1-3H3
InChIKeyAAAFPFJZQVZPEW-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.91
Rot. Bonds6

About 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene

4-(diethoxymethyl)-1-fluoro-2-methoxybenzene (PubChem CID 146004738) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name4-(diethoxymethyl)-1-fluoro-2-methoxybenzene
PubChem CID146004738
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Name4-(diethoxymethyl)-1-fluoro-2-methoxybenzene
SMILESCCOC(OCC)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H17FO3/c1-4-15-12(16-5-2)9-6-7-10(13)11(8-9)14-3/h6-8,12H,4-5H2,1-3H3
InChIKeyAAAFPFJZQVZPEW-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83075998
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
CID 130723637
[2-ethoxy-1-(4-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105321213
1-(4-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816783
1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
CID 83909820
4-bromo-2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-1-ethoxybenzene
CID 81289227
N-(2-ethoxyethyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82994797
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine
CID 107894085
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene?
The IUPAC name of 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene (CID 146004738) is 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene.
What is the SMILES notation for 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene?
The canonical SMILES for 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene is CCOC(OCC)c1ccc(F)c(OC)c1.
What is the InChIKey of 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene?
The InChIKey is AAAFPFJZQVZPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3/c1-4-15-12(16-5-2)9-6-7-10(13)11(8-9)14-3/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene?
4-(diethoxymethyl)-1-fluoro-2-methoxybenzene has a molecular weight of 228.26 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-1-fluoro-2-methoxybenzene is sourced from PubChem (CID 146004738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).