3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane

C20H20F4O3 — CID 163580728

IUPAC3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane
SMILESCC(F)c1c(F)cccc1C1OCCO1.CC(F)c1c(F)cccc1C=O
InChIInChI=1S/C11H12F2O2.C9H8F2O/c1-7(12)10-8(3-2-4-9(10)13)11-14-5-6-15-11;1-6(10)9-7(5-12)3-2-4-8(9)11/h2-4,7,11H,5-6H2,1H3;2-6H,1H3
InChIKeyGHIFNZNNDXANPZ-UHFFFAOYSA-N
MW384.37 g/mol
LogP5.57
Rot. Bonds4

About 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane

3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane (PubChem CID 163580728) has the molecular formula C20H20F4O3 and a molecular weight of 384.37 g/mol. Its IUPAC name is 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane
PubChem CID163580728
Molecular FormulaC20H20F4O3
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane
SMILESCC(F)c1c(F)cccc1C1OCCO1.CC(F)c1c(F)cccc1C=O
InChIInChI=1S/C11H12F2O2.C9H8F2O/c1-7(12)10-8(3-2-4-9(10)13)11-14-5-6-15-11;1-6(10)9-7(5-12)3-2-4-8(9)11/h2-4,7,11H,5-6H2,1H3;2-6H,1H3
InChIKeyGHIFNZNNDXANPZ-UHFFFAOYSA-N
XLogP5.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.37
LogP ≤ 55.57
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 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane (CID 163580728) is 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane is CC(F)c1c(F)cccc1C1OCCO1.CC(F)c1c(F)cccc1C=O.
What is the InChIKey of 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane?
The InChIKey is GHIFNZNNDXANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2.C9H8F2O/c1-7(12)10-8(3-2-4-9(10)13)11-14-5-6-15-11;1-6(10)9-7(5-12)3-2-4-8(9)11/h2-4,7,11H,5-6H2,1H3;2-6H,1H3.
What are the key properties of 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane?
3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane has a molecular weight of 384.37 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-fluoroethyl)benzaldehyde;2-[3-fluoro-2-(1-fluoroethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 163580728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).