4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde

C6H8F2O3 — CID 174690239

IUPAC4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde
SMILESCCC1(F)OC(C=O)OC1F
InChIInChI=1S/C6H8F2O3/c1-2-6(8)5(7)10-4(3-9)11-6/h3-5H,2H2,1H3
InChIKeyNWZAZUWUIZJIPN-UHFFFAOYSA-N
MW166.12 g/mol
LogP0.93
Rot. Bonds2

About 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde

4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde (PubChem CID 174690239) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde
PubChem CID174690239
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde
SMILESCCC1(F)OC(C=O)OC1F
InChIInChI=1S/C6H8F2O3/c1-2-6(8)5(7)10-4(3-9)11-6/h3-5H,2H2,1H3
InChIKeyNWZAZUWUIZJIPN-UHFFFAOYSA-N
XLogP0.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-diethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174557569
4,4-dimethyl-1,3-dioxetane-2-carbaldehyde
CID 23218533
1,3,5-trioxane-2,4,6-tricarbaldehyde
CID 54209022
4,5-dipropyl-1,3-dioxole-2-carbaldehyde
CID 174516284
1-ethyl-3-fluorocyclobutane-1-carbaldehyde
CID 58564865
5-ethyl-5-phenyl-1,3-dioxane-2-carbaldehyde
CID 174828336
4-fluoro-5-(trifluoromethyl)-1,3-dioxolane-2-carbaldehyde
CID 174528562
4,4-dimethyl-5-methylidene-1,3-dioxolane-2-carbaldehyde
CID 174507090
(2R)-3,3-dimethyloxirane-2-carbaldehyde
CID 12872198
(3aR,5R,6R,6aS)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 121245832
2-ethyl-1,3-dioxole-2-carbaldehyde
CID 174831083
3-(bromomethyl)-2-ethyl-2-methyloxirane
CID 123341978

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde?
The IUPAC name of 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde (CID 174690239) is 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde.
What is the SMILES notation for 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde?
The canonical SMILES for 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde is CCC1(F)OC(C=O)OC1F.
What is the InChIKey of 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde?
The InChIKey is NWZAZUWUIZJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O3/c1-2-6(8)5(7)10-4(3-9)11-6/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde?
4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde has a molecular weight of 166.12 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5-difluoro-1,3-dioxolane-2-carbaldehyde is sourced from PubChem (CID 174690239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).