3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one

C5H4F3NOS — CID 115659231

IUPAC3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC(F)(F)F
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3-9-1-2-11-4(9)10/h1-2H,3H2
InChIKeyRPBMSKKWCLWDSZ-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.47
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one

3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one (PubChem CID 115659231) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one
PubChem CID115659231
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC(F)(F)F
InChIInChI=1S/C5H4F3NOS/c6-5(7,8)3-9-1-2-11-4(9)10/h1-2H,3H2
InChIKeyRPBMSKKWCLWDSZ-UHFFFAOYSA-N
XLogP1.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Difluoromethyl)-1,3-thiazol-2-one
CID 15171125
[3-(trifluoromethyl)-2H-1,3-thiazol-1-ylidene]methanone
CID 154321573
3-(Trifluoromethyl)-1,3-thiazol-2-one
CID 49781570
Trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide
CID 63703627
3-(3,3,3-Trifluoropropyl)-1,3-thiazol-2-one
CID 115672986
3-(3-Fluoropropyl)-1,3-thiazol-2-one
CID 115706050
3-(2,2-Difluoroethyl)-1,3-thiazol-2-one
CID 115749768
3-(2-Fluoroethyl)-1,3-thiazol-2-one
CID 115749769
3-(4,4,4-Trifluorobutyl)-1,3-thiazol-2-one
CID 116622657
3-[2-(Trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-one
CID 116622658
3-(3,3,3-Trifluoro-2-methylpropyl)-1,3-thiazol-2-one
CID 130618967
3-Ethyl-1,3-thiazol-2-one
CID 13828887

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one (CID 115659231) is 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one is O=c1sccn1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one?
The InChIKey is RPBMSKKWCLWDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c6-5(7,8)3-9-1-2-11-4(9)10/h1-2H,3H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one?
3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one has a molecular weight of 183.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115659231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).