4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde

C10H7FO3 — CID 141218294

IUPAC4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(C2OC=CO2)c(F)c1
InChIInChI=1S/C10H7FO3/c11-9-5-7(6-12)1-2-8(9)10-13-3-4-14-10/h1-6,10H
InChIKeyVJLKSXYFDZJKQC-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.15
Rot. Bonds2

About 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde

4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde (PubChem CID 141218294) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde
PubChem CID141218294
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(C2OC=CO2)c(F)c1
InChIInChI=1S/C10H7FO3/c11-9-5-7(6-12)1-2-8(9)10-13-3-4-14-10/h1-6,10H
InChIKeyVJLKSXYFDZJKQC-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.15
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 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde?
The IUPAC name of 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde (CID 141218294) is 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde is O=Cc1ccc(C2OC=CO2)c(F)c1.
What is the InChIKey of 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde?
The InChIKey is VJLKSXYFDZJKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c11-9-5-7(6-12)1-2-8(9)10-13-3-4-14-10/h1-6,10H.
What are the key properties of 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde?
4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde has a molecular weight of 194.16 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxol-2-yl)-3-fluorobenzaldehyde is sourced from PubChem (CID 141218294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).