oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C10H10F3NO2S — CID 106782519

IUPACoxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCOCC1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9-14-5-7(17-9)8(15)6-1-3-16-4-2-6/h5-6H,1-4H2
InChIKeyXBIWGOPMJNPFAS-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.77
Rot. Bonds2

About oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782519) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782519
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Nameoxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CCOCC1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9-14-5-7(17-9)8(15)6-1-3-16-4-2-6/h5-6H,1-4H2
InChIKeyXBIWGOPMJNPFAS-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782519) is oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CCOCC1.
What is the InChIKey of oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is XBIWGOPMJNPFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)9-14-5-7(17-9)8(15)6-1-3-16-4-2-6/h5-6H,1-4H2.
What are the key properties of oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 265.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).