2-ethoxy-2-fluoroacetaldehyde

C4H7FO2 — CID 89127218

IUPAC2-ethoxy-2-fluoroacetaldehyde
SMILESCCOC(F)C=O
InChIInChI=1S/C4H7FO2/c1-2-7-4(5)3-6/h3-4H,2H2,1H3
InChIKeyRCWAUMZUGIGMNK-UHFFFAOYSA-N
MW106.10 g/mol
LogP0.52
Rot. Bonds3

About 2-ethoxy-2-fluoroacetaldehyde

2-ethoxy-2-fluoroacetaldehyde (PubChem CID 89127218) has the molecular formula C4H7FO2 and a molecular weight of 106.10 g/mol. Its IUPAC name is 2-ethoxy-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-ethoxy-2-fluoroacetaldehyde
PubChem CID89127218
Molecular FormulaC4H7FO2
Molecular Weight106.10 g/mol
Exact Mass106.04
IUPAC Name2-ethoxy-2-fluoroacetaldehyde
SMILESCCOC(F)C=O
InChIInChI=1S/C4H7FO2/c1-2-7-4(5)3-6/h3-4H,2H2,1H3
InChIKeyRCWAUMZUGIGMNK-UHFFFAOYSA-N
XLogP0.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.10
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxyethane;2-methylpropanedial
CID 88830026
(2R)-2-ethoxy-3-methylbutanal
CID 124526091
3-ethoxy-2-ethylpentanedial
CID 22151104
2-(bromomethyl)-3,3-diethoxypropanal
CID 70700528
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
2-bromopropanal;cyclopropane;1,1-diethoxyethane
CID 87882353
1,1-diethoxyethane tetrafluoroborate
CID 22362138
2-ethoxy-2-(2-fluorophenyl)acetaldehyde
CID 23169889
N-(1-ethoxyethyl)-N-methylformamide
CID 87133135
2-[bis(2,2-diethoxyethyl)phosphoryl]-1,1-diethoxyethane
CID 14740209
1-ethoxy-1-fluoro-2-methoxyethane
CID 177367810
2-(2,2-diethoxyethyl)hexanal
CID 121007573

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-fluoroacetaldehyde?
The IUPAC name of 2-ethoxy-2-fluoroacetaldehyde (CID 89127218) is 2-ethoxy-2-fluoroacetaldehyde.
What is the SMILES notation for 2-ethoxy-2-fluoroacetaldehyde?
The canonical SMILES for 2-ethoxy-2-fluoroacetaldehyde is CCOC(F)C=O.
What is the InChIKey of 2-ethoxy-2-fluoroacetaldehyde?
The InChIKey is RCWAUMZUGIGMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2/c1-2-7-4(5)3-6/h3-4H,2H2,1H3.
What are the key properties of 2-ethoxy-2-fluoroacetaldehyde?
2-ethoxy-2-fluoroacetaldehyde has a molecular weight of 106.10 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-fluoroacetaldehyde is sourced from PubChem (CID 89127218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).