2-fluoro-2-(oxolan-3-yl)acetaldehyde

C6H9FO2 — CID 105427659

IUPAC2-fluoro-2-(oxolan-3-yl)acetaldehyde
SMILESO=CC(F)C1CCOC1
InChIInChI=1S/C6H9FO2/c7-6(3-8)5-1-2-9-4-5/h3,5-6H,1-2,4H2
InChIKeyNPWVJFXDTGFWTM-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.56
Rot. Bonds2

About 2-fluoro-2-(oxolan-3-yl)acetaldehyde

2-fluoro-2-(oxolan-3-yl)acetaldehyde (PubChem CID 105427659) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 2-fluoro-2-(oxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-(oxolan-3-yl)acetaldehyde
PubChem CID105427659
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name2-fluoro-2-(oxolan-3-yl)acetaldehyde
SMILESO=CC(F)C1CCOC1
InChIInChI=1S/C6H9FO2/c7-6(3-8)5-1-2-9-4-5/h3,5-6H,1-2,4H2
InChIKeyNPWVJFXDTGFWTM-UHFFFAOYSA-N
XLogP0.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxolan-3-yl)acetaldehyde?
The IUPAC name of 2-fluoro-2-(oxolan-3-yl)acetaldehyde (CID 105427659) is 2-fluoro-2-(oxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-fluoro-2-(oxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-fluoro-2-(oxolan-3-yl)acetaldehyde is O=CC(F)C1CCOC1.
What is the InChIKey of 2-fluoro-2-(oxolan-3-yl)acetaldehyde?
The InChIKey is NPWVJFXDTGFWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c7-6(3-8)5-1-2-9-4-5/h3,5-6H,1-2,4H2.
What are the key properties of 2-fluoro-2-(oxolan-3-yl)acetaldehyde?
2-fluoro-2-(oxolan-3-yl)acetaldehyde has a molecular weight of 132.13 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxolan-3-yl)acetaldehyde is sourced from PubChem (CID 105427659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).