2-fluoro-2-(oxan-4-yl)acetaldehyde

C7H11FO2 — CID 55266437

IUPAC2-fluoro-2-(oxan-4-yl)acetaldehyde
SMILESO=CC(F)C1CCOCC1
InChIInChI=1S/C7H11FO2/c8-7(5-9)6-1-3-10-4-2-6/h5-7H,1-4H2
InChIKeyVTTWTCRSUAQXMC-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.95
Rot. Bonds2

About 2-fluoro-2-(oxan-4-yl)acetaldehyde

2-fluoro-2-(oxan-4-yl)acetaldehyde (PubChem CID 55266437) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-fluoro-2-(oxan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-(oxan-4-yl)acetaldehyde
PubChem CID55266437
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name2-fluoro-2-(oxan-4-yl)acetaldehyde
SMILESO=CC(F)C1CCOCC1
InChIInChI=1S/C7H11FO2/c8-7(5-9)6-1-3-10-4-2-6/h5-7H,1-4H2
InChIKeyVTTWTCRSUAQXMC-UHFFFAOYSA-N
XLogP0.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.95
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-(oxan-4-yl)acetaldehyde?
The IUPAC name of 2-fluoro-2-(oxan-4-yl)acetaldehyde (CID 55266437) is 2-fluoro-2-(oxan-4-yl)acetaldehyde.
What is the SMILES notation for 2-fluoro-2-(oxan-4-yl)acetaldehyde?
The canonical SMILES for 2-fluoro-2-(oxan-4-yl)acetaldehyde is O=CC(F)C1CCOCC1.
What is the InChIKey of 2-fluoro-2-(oxan-4-yl)acetaldehyde?
The InChIKey is VTTWTCRSUAQXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-7(5-9)6-1-3-10-4-2-6/h5-7H,1-4H2.
What are the key properties of 2-fluoro-2-(oxan-4-yl)acetaldehyde?
2-fluoro-2-(oxan-4-yl)acetaldehyde has a molecular weight of 146.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxan-4-yl)acetaldehyde is sourced from PubChem (CID 55266437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).