5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde

C10H7F3O3 — CID 90284143

IUPAC5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde
SMILESO=Cc1cc(C2OCCO2)c(F)c(F)c1F
InChIInChI=1S/C10H7F3O3/c11-7-5(4-14)3-6(8(12)9(7)13)10-15-1-2-16-10/h3-4,10H,1-2H2
InChIKeyMMZZEDJJKBFZLU-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.96
Rot. Bonds2

About 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde

5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde (PubChem CID 90284143) has the molecular formula C10H7F3O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde
PubChem CID90284143
Molecular FormulaC10H7F3O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde
SMILESO=Cc1cc(C2OCCO2)c(F)c(F)c1F
InChIInChI=1S/C10H7F3O3/c11-7-5(4-14)3-6(8(12)9(7)13)10-15-1-2-16-10/h3-4,10H,1-2H2
InChIKeyMMZZEDJJKBFZLU-UHFFFAOYSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde (CID 90284143) is 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde is O=Cc1cc(C2OCCO2)c(F)c(F)c1F.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde?
The InChIKey is MMZZEDJJKBFZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O3/c11-7-5(4-14)3-6(8(12)9(7)13)10-15-1-2-16-10/h3-4,10H,1-2H2.
What are the key properties of 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde?
5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde has a molecular weight of 232.16 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-2,3,4-trifluorobenzaldehyde is sourced from PubChem (CID 90284143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).