2-fluoro-6-methylbenzaldehyde;methyl formate

C10H11FO3 — CID 163291758

IUPAC2-fluoro-6-methylbenzaldehyde;methyl formate
SMILESCOC=O.Cc1cccc(F)c1C=O
InChIInChI=1S/C8H7FO.C2H4O2/c1-6-3-2-4-8(9)7(6)5-10;1-4-2-3/h2-5H,1H3;2H,1H3
InChIKeyMNEWUMAGRXNYBL-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.74
Rot. Bonds2

About 2-fluoro-6-methylbenzaldehyde;methyl formate

2-fluoro-6-methylbenzaldehyde;methyl formate (PubChem CID 163291758) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-fluoro-6-methylbenzaldehyde;methyl formate.

Molecular Properties

Compound Name2-fluoro-6-methylbenzaldehyde;methyl formate
PubChem CID163291758
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-fluoro-6-methylbenzaldehyde;methyl formate
SMILESCOC=O.Cc1cccc(F)c1C=O
InChIInChI=1S/C8H7FO.C2H4O2/c1-6-3-2-4-8(9)7(6)5-10;1-4-2-3/h2-5H,1H3;2H,1H3
InChIKeyMNEWUMAGRXNYBL-UHFFFAOYSA-N
XLogP1.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methylbenzaldehyde;methyl formate?
The IUPAC name of 2-fluoro-6-methylbenzaldehyde;methyl formate (CID 163291758) is 2-fluoro-6-methylbenzaldehyde;methyl formate.
What is the SMILES notation for 2-fluoro-6-methylbenzaldehyde;methyl formate?
The canonical SMILES for 2-fluoro-6-methylbenzaldehyde;methyl formate is COC=O.Cc1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-methylbenzaldehyde;methyl formate?
The InChIKey is MNEWUMAGRXNYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO.C2H4O2/c1-6-3-2-4-8(9)7(6)5-10;1-4-2-3/h2-5H,1H3;2H,1H3.
What are the key properties of 2-fluoro-6-methylbenzaldehyde;methyl formate?
2-fluoro-6-methylbenzaldehyde;methyl formate has a molecular weight of 198.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylbenzaldehyde;methyl formate is sourced from PubChem (CID 163291758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).