5-(dimethoxymethyl)-2-fluorobenzaldehyde

C10H11FO3 — CID 22260704

IUPAC5-(dimethoxymethyl)-2-fluorobenzaldehyde
SMILESCOC(OC)c1ccc(F)c(C=O)c1
InChIInChI=1S/C10H11FO3/c1-13-10(14-2)7-3-4-9(11)8(5-7)6-12/h3-6,10H,1-2H3
InChIKeyFOACLZSTLHQPNC-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.93
Rot. Bonds4

About 5-(dimethoxymethyl)-2-fluorobenzaldehyde

5-(dimethoxymethyl)-2-fluorobenzaldehyde (PubChem CID 22260704) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name5-(dimethoxymethyl)-2-fluorobenzaldehyde
PubChem CID22260704
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name5-(dimethoxymethyl)-2-fluorobenzaldehyde
SMILESCOC(OC)c1ccc(F)c(C=O)c1
InChIInChI=1S/C10H11FO3/c1-13-10(14-2)7-3-4-9(11)8(5-7)6-12/h3-6,10H,1-2H3
InChIKeyFOACLZSTLHQPNC-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 5-(dimethoxymethyl)-2-fluorobenzaldehyde?
The IUPAC name of 5-(dimethoxymethyl)-2-fluorobenzaldehyde (CID 22260704) is 5-(dimethoxymethyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 5-(dimethoxymethyl)-2-fluorobenzaldehyde?
The canonical SMILES for 5-(dimethoxymethyl)-2-fluorobenzaldehyde is COC(OC)c1ccc(F)c(C=O)c1.
What is the InChIKey of 5-(dimethoxymethyl)-2-fluorobenzaldehyde?
The InChIKey is FOACLZSTLHQPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-13-10(14-2)7-3-4-9(11)8(5-7)6-12/h3-6,10H,1-2H3.
What are the key properties of 5-(dimethoxymethyl)-2-fluorobenzaldehyde?
5-(dimethoxymethyl)-2-fluorobenzaldehyde 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 5-(dimethoxymethyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 22260704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).