7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde

C14H12F4O4 — CID 122515514

IUPAC7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde
SMILESO=Cc1ccc(OCC(F)F)c2c1C1(OCCO1)C(F)(F)C2
InChIInChI=1S/C14H12F4O4/c15-11(16)7-20-10-2-1-8(6-19)12-9(10)5-13(17,18)14(12)21-3-4-22-14/h1-2,6,11H,3-5,7H2
InChIKeySCJKDDMPHURDMS-UHFFFAOYSA-N
MW320.24 g/mol
LogP2.53
Rot. Bonds4

About 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde

7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde (PubChem CID 122515514) has the molecular formula C14H12F4O4 and a molecular weight of 320.24 g/mol. Its IUPAC name is 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde.

Molecular Properties

Compound Name7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde
PubChem CID122515514
Molecular FormulaC14H12F4O4
Molecular Weight320.24 g/mol
Exact Mass320.07
IUPAC Name7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde
SMILESO=Cc1ccc(OCC(F)F)c2c1C1(OCCO1)C(F)(F)C2
InChIInChI=1S/C14H12F4O4/c15-11(16)7-20-10-2-1-8(6-19)12-9(10)5-13(17,18)14(12)21-3-4-22-14/h1-2,6,11H,3-5,7H2
InChIKeySCJKDDMPHURDMS-UHFFFAOYSA-N
XLogP2.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde?
The IUPAC name of 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde (CID 122515514) is 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde.
What is the SMILES notation for 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde?
The canonical SMILES for 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde is O=Cc1ccc(OCC(F)F)c2c1C1(OCCO1)C(F)(F)C2.
What is the InChIKey of 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde?
The InChIKey is SCJKDDMPHURDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4O4/c15-11(16)7-20-10-2-1-8(6-19)12-9(10)5-13(17,18)14(12)21-3-4-22-14/h1-2,6,11H,3-5,7H2.
What are the key properties of 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde?
7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde has a molecular weight of 320.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde is sourced from PubChem (CID 122515514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).