2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C7H7F4NS — CID 164588502

IUPAC2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(F)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H7F4NS/c1-6(2,8)5-12-4(3-13-5)7(9,10)11/h3H,1-2H3
InChIKeyOIAWXTFVMUYRFS-UHFFFAOYSA-N
MW213.20 g/mol
LogP3.37
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 164588502) has the molecular formula C7H7F4NS and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID164588502
Molecular FormulaC7H7F4NS
Molecular Weight213.20 g/mol
Exact Mass213.02
IUPAC Name2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(F)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H7F4NS/c1-6(2,8)5-12-4(3-13-5)7(9,10)11/h3H,1-2H3
InChIKeyOIAWXTFVMUYRFS-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 164588502) is 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole is CC(C)(F)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is OIAWXTFVMUYRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4NS/c1-6(2,8)5-12-4(3-13-5)7(9,10)11/h3H,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 213.20 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 164588502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).