6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one

C15H14F3NOS — CID 164678856

IUPAC6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one
SMILESO=C(CCC(CC(F)(F)F)c1nccs1)c1ccccc1
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)10-12(14-19-8-9-21-14)6-7-13(20)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2
InChIKeyVGYWLWDCFCORHS-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.84
Rot. Bonds6

About 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one

6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one (PubChem CID 164678856) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one.

Molecular Properties

Compound Name6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one
PubChem CID164678856
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one
SMILESO=C(CCC(CC(F)(F)F)c1nccs1)c1ccccc1
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)10-12(14-19-8-9-21-14)6-7-13(20)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2
InChIKeyVGYWLWDCFCORHS-UHFFFAOYSA-N
XLogP4.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one?
The IUPAC name of 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one (CID 164678856) is 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one.
What is the SMILES notation for 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one?
The canonical SMILES for 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one is O=C(CCC(CC(F)(F)F)c1nccs1)c1ccccc1.
What is the InChIKey of 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one?
The InChIKey is VGYWLWDCFCORHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c16-15(17,18)10-12(14-19-8-9-21-14)6-7-13(20)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2.
What are the key properties of 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one?
6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one has a molecular weight of 313.34 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one is sourced from PubChem (CID 164678856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).