5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde

C5H8FNO2 — CID 174487179

IUPAC5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NCC(CF)O1
InChIInChI=1S/C5H8FNO2/c6-1-4-2-7-5(3-8)9-4/h3-5,7H,1-2H2
InChIKeyZOYWHFBVFQYLBG-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.53
Rot. Bonds2

About 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde

5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174487179) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174487179
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NCC(CF)O1
InChIInChI=1S/C5H8FNO2/c6-1-4-2-7-5(3-8)9-4/h3-5,7H,1-2H2
InChIKeyZOYWHFBVFQYLBG-UHFFFAOYSA-N
XLogP-0.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde (CID 174487179) is 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1NCC(CF)O1.
What is the InChIKey of 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is ZOYWHFBVFQYLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-1-4-2-7-5(3-8)9-4/h3-5,7H,1-2H2.
What are the key properties of 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 133.12 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174487179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).