2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde

C10H11FO3 — CID 164891594

IUPAC2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde
SMILESCOCOc1cc(C)cc(F)c1C=O
InChIInChI=1S/C10H11FO3/c1-7-3-9(11)8(5-12)10(4-7)14-6-13-2/h3-5H,6H2,1-2H3
InChIKeyPSXCDOLRPCBCKQ-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.93
Rot. Bonds4

About 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde

2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde (PubChem CID 164891594) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde
PubChem CID164891594
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde
SMILESCOCOc1cc(C)cc(F)c1C=O
InChIInChI=1S/C10H11FO3/c1-7-3-9(11)8(5-12)10(4-7)14-6-13-2/h3-5H,6H2,1-2H3
InChIKeyPSXCDOLRPCBCKQ-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde?
The IUPAC name of 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde (CID 164891594) is 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde.
What is the SMILES notation for 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde?
The canonical SMILES for 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde is COCOc1cc(C)cc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde?
The InChIKey is PSXCDOLRPCBCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7-3-9(11)8(5-12)10(4-7)14-6-13-2/h3-5H,6H2,1-2H3.
What are the key properties of 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde?
2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde has a molecular weight of 198.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(methoxymethoxy)-4-methylbenzaldehyde is sourced from PubChem (CID 164891594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).