5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde

C5H7F3N2O2 — CID 174372290

IUPAC5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
SMILESNC1OC(C(F)(F)F)NC1C=O
InChIInChI=1S/C5H7F3N2O2/c6-5(7,8)4-10-2(1-11)3(9)12-4/h1-4,10H,9H2
InChIKeyBFUYEOVKOMXQQD-UHFFFAOYSA-N
MW184.12 g/mol
LogP-0.65
Rot. Bonds1

About 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde

5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde (PubChem CID 174372290) has the molecular formula C5H7F3N2O2 and a molecular weight of 184.12 g/mol. Its IUPAC name is 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
PubChem CID174372290
Molecular FormulaC5H7F3N2O2
Molecular Weight184.12 g/mol
Exact Mass184.05
IUPAC Name5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
SMILESNC1OC(C(F)(F)F)NC1C=O
InChIInChI=1S/C5H7F3N2O2/c6-5(7,8)4-10-2(1-11)3(9)12-4/h1-4,10H,9H2
InChIKeyBFUYEOVKOMXQQD-UHFFFAOYSA-N
XLogP-0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
CID 174372294
5-(Methylamino)-3-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
CID 174409585

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
The IUPAC name of 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde (CID 174372290) is 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde.
What is the SMILES notation for 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
The canonical SMILES for 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde is NC1OC(C(F)(F)F)NC1C=O.
What is the InChIKey of 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
The InChIKey is BFUYEOVKOMXQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O2/c6-5(7,8)4-10-2(1-11)3(9)12-4/h1-4,10H,9H2.
What are the key properties of 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde has a molecular weight of 184.12 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 174372290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).