5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole

C5H3ClF3NO — CID 14578533

IUPAC5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(CCl)on1
InChIInChI=1S/C5H3ClF3NO/c6-2-3-1-4(10-11-3)5(7,8)9/h1H,2H2
InChIKeySOMUAVBXOGLMIQ-UHFFFAOYSA-N
MW185.53 g/mol
LogP2.43
Rot. Bonds1

About 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole

5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 14578533) has the molecular formula C5H3ClF3NO and a molecular weight of 185.53 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole
PubChem CID14578533
Molecular FormulaC5H3ClF3NO
Molecular Weight185.53 g/mol
Exact Mass184.99
IUPAC Name5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(CCl)on1
InChIInChI=1S/C5H3ClF3NO/c6-2-3-1-4(10-11-3)5(7,8)9/h1H,2H2
InChIKeySOMUAVBXOGLMIQ-UHFFFAOYSA-N
XLogP2.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.53
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethylisoxazole
CID 9312
5-(3-Chloropropyl)-3-methylisoxazole
CID 10103423
3-(Chloromethyl)-5-methyl-1,2-oxazole
CID 2735763
5-(Chloromethyl)-3-methyl-1,2-oxazole
CID 7131496
3-Methyl-5-(trifluoromethyl)-1,2-oxazole
CID 16443300
5-(Chloromethyl)-3-ethyl-1,2-oxazole
CID 12364600
5-(Chloromethyl)-3-(propan-2-yl)-1,2-oxazole
CID 12364602
3-Methyl-1,2-oxazole-5-carbonyl chloride
CID 12905099
3-(Chloromethyl)-5-ethyl-1,2-oxazole
CID 14267298
5-(1-Chloroethyl)-3-methyl-1,2-oxazole
CID 20284546
5-(Chloromethyl)-3-(difluoromethyl)-1,2-oxazole
CID 21698437
3-(Chloromethyl)-5-(1,1-difluoroethyl)-1,2-oxazole
CID 57736391

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole (CID 14578533) is 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(CCl)on1.
What is the InChIKey of 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is SOMUAVBXOGLMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3NO/c6-2-3-1-4(10-11-3)5(7,8)9/h1H,2H2.
What are the key properties of 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole?
5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 185.53 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 14578533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).