5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde

C6H9F3N2O2 — CID 174409585

IUPAC5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
SMILESCNC1OCN(C(F)(F)F)C1C=O
InChIInChI=1S/C6H9F3N2O2/c1-10-5-4(2-12)11(3-13-5)6(7,8)9/h2,4-5,10H,3H2,1H3
InChIKeyMPAWRMVXYLNOFZ-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.09
Rot. Bonds2

About 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde

5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde (PubChem CID 174409585) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
PubChem CID174409585
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
SMILESCNC1OCN(C(F)(F)F)C1C=O
InChIInChI=1S/C6H9F3N2O2/c1-10-5-4(2-12)11(3-13-5)6(7,8)9/h2,4-5,10H,3H2,1H3
InChIKeyMPAWRMVXYLNOFZ-UHFFFAOYSA-N
XLogP-0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
The IUPAC name of 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde (CID 174409585) is 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde.
What is the SMILES notation for 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
The canonical SMILES for 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde is CNC1OCN(C(F)(F)F)C1C=O.
What is the InChIKey of 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
The InChIKey is MPAWRMVXYLNOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c1-10-5-4(2-12)11(3-13-5)6(7,8)9/h2,4-5,10H,3H2,1H3.
What are the key properties of 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde has a molecular weight of 198.14 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 174409585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).