(2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde

C6H10FNO — CID 175419766

IUPAC(2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde
SMILESO=C[C@@H]1CCN1CCF
InChIInChI=1S/C6H10FNO/c7-2-4-8-3-1-6(8)5-9/h5-6H,1-4H2/t6-/m0/s1
InChIKeyRIRMYCXYLYSLCQ-LURJTMIESA-N
MW131.15 g/mol
LogP0.23
Rot. Bonds3

About (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde

(2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde (PubChem CID 175419766) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde
PubChem CID175419766
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde
SMILESO=C[C@@H]1CCN1CCF
InChIInChI=1S/C6H10FNO/c7-2-4-8-3-1-6(8)5-9/h5-6H,1-4H2/t6-/m0/s1
InChIKeyRIRMYCXYLYSLCQ-LURJTMIESA-N
XLogP0.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.23
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 (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde?
The IUPAC name of (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde (CID 175419766) is (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde is O=C[C@@H]1CCN1CCF.
What is the InChIKey of (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde?
The InChIKey is RIRMYCXYLYSLCQ-LURJTMIESA-N. The full InChI is InChI=1S/C6H10FNO/c7-2-4-8-3-1-6(8)5-9/h5-6H,1-4H2/t6-/m0/s1.
What are the key properties of (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde?
(2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde is sourced from PubChem (CID 175419766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).