4-(ethoxymethoxy)-3-fluorobenzaldehyde

C10H11FO3 — CID 107689657

IUPAC4-(ethoxymethoxy)-3-fluorobenzaldehyde
SMILESCCOCOc1ccc(C=O)cc1F
InChIInChI=1S/C10H11FO3/c1-2-13-7-14-10-4-3-8(6-12)5-9(10)11/h3-6H,2,7H2,1H3
InChIKeyNSGKUFKZXWLWQM-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.01
Rot. Bonds5

About 4-(ethoxymethoxy)-3-fluorobenzaldehyde

4-(ethoxymethoxy)-3-fluorobenzaldehyde (PubChem CID 107689657) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-(ethoxymethoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(ethoxymethoxy)-3-fluorobenzaldehyde
PubChem CID107689657
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name4-(ethoxymethoxy)-3-fluorobenzaldehyde
SMILESCCOCOc1ccc(C=O)cc1F
InChIInChI=1S/C10H11FO3/c1-2-13-7-14-10-4-3-8(6-12)5-9(10)11/h3-6H,2,7H2,1H3
InChIKeyNSGKUFKZXWLWQM-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890
potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
CID 107693734
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
4-[(2-fluoro-4-formylphenoxy)methyl]benzonitrile
CID 113338138
1-ethoxy-2-fluoro-4-prop-1-enylbenzene
CID 58719170

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(ethoxymethoxy)-3-fluorobenzaldehyde (CID 107689657) is 4-(ethoxymethoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(ethoxymethoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(ethoxymethoxy)-3-fluorobenzaldehyde is CCOCOc1ccc(C=O)cc1F.
What is the InChIKey of 4-(ethoxymethoxy)-3-fluorobenzaldehyde?
The InChIKey is NSGKUFKZXWLWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-2-13-7-14-10-4-3-8(6-12)5-9(10)11/h3-6H,2,7H2,1H3.
What are the key properties of 4-(ethoxymethoxy)-3-fluorobenzaldehyde?
4-(ethoxymethoxy)-3-fluorobenzaldehyde has a molecular weight of 198.19 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 107689657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).