ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C8H10F3NOS — CID 170758118

IUPACethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC.CC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H4F3NOS.C2H6/c1-3(11)4-2-10-5(12-4)6(7,8)9;1-2/h2H,1H3;1-2H3
InChIKeyFEFDKUIEBXMQEU-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.39
Rot. Bonds1

About ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 170758118) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID170758118
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Nameethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC.CC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C6H4F3NOS.C2H6/c1-3(11)4-2-10-5(12-4)6(7,8)9;1-2/h2H,1H3;1-2H3
InChIKeyFEFDKUIEBXMQEU-UHFFFAOYSA-N
XLogP3.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 170758118) is ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is CC.CC(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is FEFDKUIEBXMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS.C2H6/c1-3(11)4-2-10-5(12-4)6(7,8)9;1-2/h2H,1H3;1-2H3.
What are the key properties of ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 225.23 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 170758118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).