3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one

C8H6F3NOS — CID 135125907

IUPAC3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one
SMILESO=C1CC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)6-3-14-7(12-6)4-1-5(13)2-4/h3-4H,1-2H2
InChIKeyCMCNOJNHDVXYQT-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.61
Rot. Bonds1

About 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one

3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one (PubChem CID 135125907) has the molecular formula C8H6F3NOS and a molecular weight of 221.20 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one
PubChem CID135125907
Molecular FormulaC8H6F3NOS
Molecular Weight221.20 g/mol
Exact Mass221.01
IUPAC Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one
SMILESO=C1CC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C8H6F3NOS/c9-8(10,11)6-3-14-7(12-6)4-1-5(13)2-4/h3-4H,1-2H2
InChIKeyCMCNOJNHDVXYQT-UHFFFAOYSA-N
XLogP2.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one?
The IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one (CID 135125907) is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one?
The canonical SMILES for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one is O=C1CC(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one?
The InChIKey is CMCNOJNHDVXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NOS/c9-8(10,11)6-3-14-7(12-6)4-1-5(13)2-4/h3-4H,1-2H2.
What are the key properties of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one?
3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one has a molecular weight of 221.20 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutan-1-one is sourced from PubChem (CID 135125907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).