ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole

C8H12F3NO — CID 142624592

IUPACethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC.CCc1nc(C(F)(F)F)co1
InChIInChI=1S/C6H6F3NO.C2H6/c1-2-5-10-4(3-11-5)6(7,8)9;1-2/h3H,2H2,1H3;1-2H3
InChIKeyPYKDWUYSYJITNH-UHFFFAOYSA-N
MW195.18 g/mol
LogP3.28
Rot. Bonds1

About ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole

ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 142624592) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID142624592
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Nameethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC.CCc1nc(C(F)(F)F)co1
InChIInChI=1S/C6H6F3NO.C2H6/c1-2-5-10-4(3-11-5)6(7,8)9;1-2/h3H,2H2,1H3;1-2H3
InChIKeyPYKDWUYSYJITNH-UHFFFAOYSA-N
XLogP3.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole (CID 142624592) is ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole is CC.CCc1nc(C(F)(F)F)co1.
What is the InChIKey of ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is PYKDWUYSYJITNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO.C2H6/c1-2-5-10-4(3-11-5)6(7,8)9;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole?
ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 195.18 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 142624592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).