3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one

C7H8F3NOS — CID 116622657

IUPAC3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCCC(F)(F)F
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)2-1-3-11-4-5-13-6(11)12/h4-5H,1-3H2
InChIKeyKIWWRNOXJSDHAP-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.25
Rot. Bonds3

About 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one

3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one (PubChem CID 116622657) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one
PubChem CID116622657
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCCC(F)(F)F
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)2-1-3-11-4-5-13-6(11)12/h4-5H,1-3H2
InChIKeyKIWWRNOXJSDHAP-UHFFFAOYSA-N
XLogP2.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.25
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)-1,3-thiazol-2-one
CID 49781570
3-(2,2,2-Trifluoroethyl)-1,3-thiazol-2-one
CID 115659231
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-[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
3-Propyl-1,3-thiazol-2-one
CID 13828888
3-Butyl-1,3-thiazol-2-one
CID 13828889

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one (CID 116622657) is 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one is O=c1sccn1CCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one?
The InChIKey is KIWWRNOXJSDHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c8-7(9,10)2-1-3-11-4-5-13-6(11)12/h4-5H,1-3H2.
What are the key properties of 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one?
3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one has a molecular weight of 211.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutyl)-1,3-thiazol-2-one is sourced from PubChem (CID 116622657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).