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

C10H9FO3 — CID 59255459

IUPAC4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(C2OCCO2)c(F)c1
InChIInChI=1S/C10H9FO3/c11-9-5-7(6-12)1-2-8(9)10-13-3-4-14-10/h1-2,5-6,10H,3-4H2
InChIKeyCJJLTNMJCDYLMJ-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.68
Rot. Bonds2

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

4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde (PubChem CID 59255459) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde
PubChem CID59255459
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(C2OCCO2)c(F)c1
InChIInChI=1S/C10H9FO3/c11-9-5-7(6-12)1-2-8(9)10-13-3-4-14-10/h1-2,5-6,10H,3-4H2
InChIKeyCJJLTNMJCDYLMJ-UHFFFAOYSA-N
XLogP1.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.68
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-dioxolan-2-yl)-3-fluorobenzaldehyde?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde (CID 59255459) is 4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde is O=Cc1ccc(C2OCCO2)c(F)c1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde?
The InChIKey is CJJLTNMJCDYLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c11-9-5-7(6-12)1-2-8(9)10-13-3-4-14-10/h1-2,5-6,10H,3-4H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde?
4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde has a molecular weight of 196.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde is sourced from PubChem (CID 59255459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).