2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole

C8H6F5NS2 — CID 19711343

IUPAC2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)=CCCSc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H6F5NS2/c9-6(10)2-1-3-15-7-14-5(4-16-7)8(11,12)13/h2,4H,1,3H2
InChIKeyRHLZRFUJUYRIHO-UHFFFAOYSA-N
MW275.27 g/mol
LogP4.42
Rot. Bonds4

About 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole

2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 19711343) has the molecular formula C8H6F5NS2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID19711343
Molecular FormulaC8H6F5NS2
Molecular Weight275.27 g/mol
Exact Mass274.99
IUPAC Name2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)=CCCSc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H6F5NS2/c9-6(10)2-1-3-15-7-14-5(4-16-7)8(11,12)13/h2,4H,1,3H2
InChIKeyRHLZRFUJUYRIHO-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole (CID 19711343) is 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole is FC(F)=CCCSc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RHLZRFUJUYRIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NS2/c9-6(10)2-1-3-15-7-14-5(4-16-7)8(11,12)13/h2,4H,1,3H2.
What are the key properties of 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole?
2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 275.27 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 19711343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).