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

C7H11FO2 — CID 126741973

IUPAC(2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde
SMILESO=C[C@H](F)C1CCOCC1
InChIInChI=1S/C7H11FO2/c8-7(5-9)6-1-3-10-4-2-6/h5-7H,1-4H2/t7-/m0/s1
InChIKeyVTTWTCRSUAQXMC-ZETCQYMHSA-N
MW146.16 g/mol
LogP0.95
Rot. Bonds2

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

(2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde (PubChem CID 126741973) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde.

Molecular Properties

Compound Name(2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde
PubChem CID126741973
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde
SMILESO=C[C@H](F)C1CCOCC1
InChIInChI=1S/C7H11FO2/c8-7(5-9)6-1-3-10-4-2-6/h5-7H,1-4H2/t7-/m0/s1
InChIKeyVTTWTCRSUAQXMC-ZETCQYMHSA-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'}

Analyze (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde?
The IUPAC name of (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde (CID 126741973) is (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde.
What is the SMILES notation for (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde?
The canonical SMILES for (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde is O=C[C@H](F)C1CCOCC1.
What is the InChIKey of (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde?
The InChIKey is VTTWTCRSUAQXMC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11FO2/c8-7(5-9)6-1-3-10-4-2-6/h5-7H,1-4H2/t7-/m0/s1.
What are the key properties of (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde?
(2R)-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 (2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde is sourced from PubChem (CID 126741973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).