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

C6H6F3NOS — CID 115672986

IUPAC3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCC(F)(F)F
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)1-2-10-3-4-12-5(10)11/h3-4H,1-2H2
InChIKeyQUNOSCFVRQVKTL-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.86
Rot. Bonds2

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

3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one (PubChem CID 115672986) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one
PubChem CID115672986
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCC(F)(F)F
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)1-2-10-3-4-12-5(10)11/h3-4H,1-2H2
InChIKeyQUNOSCFVRQVKTL-UHFFFAOYSA-N
XLogP1.86
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.86
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
3,3,3-Trifluoro-2-[(2-oxo-1,3-thiazol-3-yl)methyl]propanenitrile
CID 103368140
3-(2,2,2-Trifluoroethyl)-1,3-thiazol-2-one
CID 115659231
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-(2-Fluorobutyl)-1,3-thiazol-2-one
CID 126994849
3-(3,3,3-Trifluoro-2-methylpropyl)-1,3-thiazol-2-one
CID 130618967

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one (CID 115672986) is 3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one is O=c1sccn1CCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one?
The InChIKey is QUNOSCFVRQVKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c7-6(8,9)1-2-10-3-4-12-5(10)11/h3-4H,1-2H2.
What are the key properties of 3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one?
3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one has a molecular weight of 197.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115672986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).