3-fluoro-2,4,5-trimethoxybenzaldehyde

C10H11FO4 — CID 117275489

IUPAC3-fluoro-2,4,5-trimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(OC)c(F)c1OC
InChIInChI=1S/C10H11FO4/c1-13-7-4-6(5-12)9(14-2)8(11)10(7)15-3/h4-5H,1-3H3
InChIKeyAXEVXUGXCORAAN-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.66
Rot. Bonds4

About 3-fluoro-2,4,5-trimethoxybenzaldehyde

3-fluoro-2,4,5-trimethoxybenzaldehyde (PubChem CID 117275489) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-fluoro-2,4,5-trimethoxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-2,4,5-trimethoxybenzaldehyde
PubChem CID117275489
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name3-fluoro-2,4,5-trimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(OC)c(F)c1OC
InChIInChI=1S/C10H11FO4/c1-13-7-4-6(5-12)9(14-2)8(11)10(7)15-3/h4-5H,1-3H3
InChIKeyAXEVXUGXCORAAN-UHFFFAOYSA-N
XLogP1.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
CID 84684172
2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde
CID 14114204
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
CID 84710945
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
CID 15089323
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
[5-formyl-2,3-dimethoxy-6-(methyl-λ2-stannanyl)phenyl]-methyltin
CID 174370211
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298695
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
2-amino-4-bromo-3-fluoro-5-methoxybenzaldehyde
CID 164904191
3,4,5-trimethoxy-2-nitrobenzaldehyde
CID 18697918

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4,5-trimethoxybenzaldehyde?
The IUPAC name of 3-fluoro-2,4,5-trimethoxybenzaldehyde (CID 117275489) is 3-fluoro-2,4,5-trimethoxybenzaldehyde.
What is the SMILES notation for 3-fluoro-2,4,5-trimethoxybenzaldehyde?
The canonical SMILES for 3-fluoro-2,4,5-trimethoxybenzaldehyde is COc1cc(C=O)c(OC)c(F)c1OC.
What is the InChIKey of 3-fluoro-2,4,5-trimethoxybenzaldehyde?
The InChIKey is AXEVXUGXCORAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-13-7-4-6(5-12)9(14-2)8(11)10(7)15-3/h4-5H,1-3H3.
What are the key properties of 3-fluoro-2,4,5-trimethoxybenzaldehyde?
3-fluoro-2,4,5-trimethoxybenzaldehyde has a molecular weight of 214.19 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4,5-trimethoxybenzaldehyde is sourced from PubChem (CID 117275489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).