2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one

C11H16FNOS — CID 123484690

IUPAC2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one
SMILESCC(C)CC(C)C(F)C(=O)c1nccs1
InChIInChI=1S/C11H16FNOS/c1-7(2)6-8(3)9(12)10(14)11-13-4-5-15-11/h4-5,7-9H,6H2,1-3H3
InChIKeyXKCCKRZTONXXGK-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.35
Rot. Bonds5

About 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one

2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one (PubChem CID 123484690) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one.

Molecular Properties

Compound Name2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one
PubChem CID123484690
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one
SMILESCC(C)CC(C)C(F)C(=O)c1nccs1
InChIInChI=1S/C11H16FNOS/c1-7(2)6-8(3)9(12)10(14)11-13-4-5-15-11/h4-5,7-9H,6H2,1-3H3
InChIKeyXKCCKRZTONXXGK-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one?
The IUPAC name of 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one (CID 123484690) is 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one.
What is the SMILES notation for 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one?
The canonical SMILES for 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one is CC(C)CC(C)C(F)C(=O)c1nccs1.
What is the InChIKey of 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one?
The InChIKey is XKCCKRZTONXXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-7(2)6-8(3)9(12)10(14)11-13-4-5-15-11/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one?
2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one is sourced from PubChem (CID 123484690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).