1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one

C6H4F3NOS — CID 79824224

IUPAC1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)4(11)3-5-10-1-2-12-5/h1-2H,3H2
InChIKeyZSPRBPUGSJYZMZ-UHFFFAOYSA-N
MW195.16 g/mol
LogP1.82
Rot. Bonds2

About 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one

1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 79824224) has the molecular formula C6H4F3NOS and a molecular weight of 195.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID79824224
Molecular FormulaC6H4F3NOS
Molecular Weight195.16 g/mol
Exact Mass195.00
IUPAC Name1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(Cc1nccs1)C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)4(11)3-5-10-1-2-12-5/h1-2H,3H2
InChIKeyZSPRBPUGSJYZMZ-UHFFFAOYSA-N
XLogP1.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one (CID 79824224) is 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one is O=C(Cc1nccs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is ZSPRBPUGSJYZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)4(11)3-5-10-1-2-12-5/h1-2H,3H2.
What are the key properties of 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one?
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 195.16 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 79824224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).