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

C7H10FNOS — CID 126994849

IUPAC3-(2-fluorobutyl)-1,3-thiazol-2-one
SMILESCCC(F)Cn1ccsc1=O
InChIInChI=1S/C7H10FNOS/c1-2-6(8)5-9-3-4-11-7(9)10/h3-4,6H,2,5H2,1H3
InChIKeyAXCULFDNIMLRTA-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.66
Rot. Bonds3

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

3-(2-fluorobutyl)-1,3-thiazol-2-one (PubChem CID 126994849) has the molecular formula C7H10FNOS and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2-fluorobutyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-fluorobutyl)-1,3-thiazol-2-one
PubChem CID126994849
Molecular FormulaC7H10FNOS
Molecular Weight175.23 g/mol
Exact Mass175.05
IUPAC Name3-(2-fluorobutyl)-1,3-thiazol-2-one
SMILESCCC(F)Cn1ccsc1=O
InChIInChI=1S/C7H10FNOS/c1-2-6(8)5-9-3-4-11-7(9)10/h3-4,6H,2,5H2,1H3
InChIKeyAXCULFDNIMLRTA-UHFFFAOYSA-N
XLogP1.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3,3-Trifluoropropyl)-1,3-thiazol-2-one
CID 115672986
3-(3-Fluoropropyl)-1,3-thiazol-2-one
CID 115706050
3-(2-Fluoroethyl)-1,3-thiazol-2-one
CID 115749769
3-(4,4,4-Trifluorobutyl)-1,3-thiazol-2-one
CID 116622657
3-(3,3,3-Trifluoro-2-methylpropyl)-1,3-thiazol-2-one
CID 130618967
3-Ethyl-1,3-thiazol-2-one
CID 13828887
3-Pentyl-1,3-thiazol-2-one
CID 13828890
3-Propan-2-yl-1,3-thiazol-2-one
CID 89103066
Ethane;3-methyl-1,3-thiazol-2-one
CID 91228224
3-Propyl-1,3-thiazol-2-one
CID 13828888
3-Butyl-1,3-thiazol-2-one
CID 13828889
3-Hexyl-1,3-thiazol-2-one
CID 13828891

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobutyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-fluorobutyl)-1,3-thiazol-2-one (CID 126994849) is 3-(2-fluorobutyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-fluorobutyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-fluorobutyl)-1,3-thiazol-2-one is CCC(F)Cn1ccsc1=O.
What is the InChIKey of 3-(2-fluorobutyl)-1,3-thiazol-2-one?
The InChIKey is AXCULFDNIMLRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNOS/c1-2-6(8)5-9-3-4-11-7(9)10/h3-4,6H,2,5H2,1H3.
What are the key properties of 3-(2-fluorobutyl)-1,3-thiazol-2-one?
3-(2-fluorobutyl)-1,3-thiazol-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorobutyl)-1,3-thiazol-2-one is sourced from PubChem (CID 126994849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).