2-fluoro-4-methoxybenzaldehyde

C8H7FO2 — CID 2734873

IUPAC2-fluoro-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(F)c1
InChIInChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKeyUNWQNFJBBWXFBG-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.65
Rot. Bonds2

About 2-fluoro-4-methoxybenzaldehyde

2-fluoro-4-methoxybenzaldehyde (PubChem CID 2734873) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 2-fluoro-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-methoxybenzaldehyde
PubChem CID2734873
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name2-fluoro-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(F)c1
InChIInChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKeyUNWQNFJBBWXFBG-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4-methoxybenzaldehyde?
The IUPAC name of 2-fluoro-4-methoxybenzaldehyde (CID 2734873) is 2-fluoro-4-methoxybenzaldehyde.
What is the SMILES notation for 2-fluoro-4-methoxybenzaldehyde?
The canonical SMILES for 2-fluoro-4-methoxybenzaldehyde is COc1ccc(C=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxybenzaldehyde?
The InChIKey is UNWQNFJBBWXFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3.
What are the key properties of 2-fluoro-4-methoxybenzaldehyde?
2-fluoro-4-methoxybenzaldehyde has a molecular weight of 154.14 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxybenzaldehyde is sourced from PubChem (CID 2734873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).