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

C5H6F3NO2 — CID 174372294

IUPAC2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
SMILESO=CC1COC(C(F)(F)F)N1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4-9-3(1-10)2-11-4/h1,3-4,9H,2H2
InChIKeyAXGBLTUJTSWJQJ-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.06
Rot. Bonds1

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

2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde (PubChem CID 174372294) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
PubChem CID174372294
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
SMILESO=CC1COC(C(F)(F)F)N1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4-9-3(1-10)2-11-4/h1,3-4,9H,2H2
InChIKeyAXGBLTUJTSWJQJ-UHFFFAOYSA-N
XLogP0.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
CID 174372290
(4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde
CID 175055970
4-(Difluoromethyl)-1,3-oxazolidine-2-carbaldehyde
CID 175344962
2,2-Difluoromorpholine-3-carbaldehyde
CID 175564045
methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844592
methyl (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844715
lithium (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844833
lithium (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844964
(4R)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde
CID 15175420
2,2-Dimethyl-1,3-oxazolidine-4-carbaldehyde
CID 22602330
4-Oxazolecarbaldehyde
CID 53697311
(4S)-2,2-dimethyl-1,3-oxazolidine-4-carbaldehyde
CID 59229762

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde (CID 174372294) is 2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde is O=CC1COC(C(F)(F)F)N1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
The InChIKey is AXGBLTUJTSWJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)4-9-3(1-10)2-11-4/h1,3-4,9H,2H2.
What are the key properties of 2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde?
2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde has a molecular weight of 169.10 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde is sourced from PubChem (CID 174372294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).