3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole

C6H6F3NO — CID 57297209

IUPAC3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole
SMILESCc1nocc1CC(F)(F)F
InChIInChI=1S/C6H6F3NO/c1-4-5(3-11-10-4)2-6(7,8)9/h3H,2H2,1H3
InChIKeyRWTMJTQZCAPRPP-UHFFFAOYSA-N
MW165.11 g/mol
LogP2.09
Rot. Bonds1

About 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole

3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole (PubChem CID 57297209) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole
PubChem CID57297209
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole
SMILESCc1nocc1CC(F)(F)F
InChIInChI=1S/C6H6F3NO/c1-4-5(3-11-10-4)2-6(7,8)9/h3H,2H2,1H3
InChIKeyRWTMJTQZCAPRPP-UHFFFAOYSA-N
XLogP2.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Ethyl-1,2-oxazole-3-carbaldehyde
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5-(Difluoromethyl)-3,4-dimethyl-1,2-oxazole
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2-[3-(Trifluoromethyl)-1,2-oxazol-4-yl]acetonitrile
CID 84767040
3-(Chloromethyl)-4-ethyl-1,2-oxazole
CID 146050155
3-Ethyl-4-methyl-1,2-oxazole
CID 59050126
4-Ethyl-5-methyl-3-(trifluoromethyl)-1,2-oxazole
CID 18735152
3,5-Dimethyl-4-(trifluoromethyl)-1,2-oxazole
CID 20719701
4-Methyl-3-(trifluoromethyl)isoxazole
CID 45099016
3,4-Dimethyl-5-(trifluoromethyl)-1,2-oxazole
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4-(2,2-Difluorocyclopropyl)-3-methyl-1,2-oxazole
CID 57093117

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole?
The IUPAC name of 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole (CID 57297209) is 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole is Cc1nocc1CC(F)(F)F.
What is the InChIKey of 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole?
The InChIKey is RWTMJTQZCAPRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c1-4-5(3-11-10-4)2-6(7,8)9/h3H,2H2,1H3.
What are the key properties of 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole?
3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole has a molecular weight of 165.11 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,2,2-trifluoroethyl)-1,2-oxazole is sourced from PubChem (CID 57297209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).