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

C13H20FNOS — CID 129233521

IUPAC2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one
SMILESCC(C)(C)CC(C)(C)C(F)C(=O)c1nccs1
InChIInChI=1S/C13H20FNOS/c1-12(2,3)8-13(4,5)10(14)9(16)11-15-6-7-17-11/h6-7,10H,8H2,1-5H3
InChIKeyDAHZFABFSIWQAO-UHFFFAOYSA-N
MW257.37 g/mol
LogP4.13
Rot. Bonds4

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

2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one (PubChem CID 129233521) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one.

Molecular Properties

Compound Name2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one
PubChem CID129233521
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one
SMILESCC(C)(C)CC(C)(C)C(F)C(=O)c1nccs1
InChIInChI=1S/C13H20FNOS/c1-12(2,3)8-13(4,5)10(14)9(16)11-15-6-7-17-11/h6-7,10H,8H2,1-5H3
InChIKeyDAHZFABFSIWQAO-UHFFFAOYSA-N
XLogP4.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one?
The IUPAC name of 2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one (CID 129233521) is 2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one.
What is the SMILES notation for 2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one?
The canonical SMILES for 2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one is CC(C)(C)CC(C)(C)C(F)C(=O)c1nccs1.
What is the InChIKey of 2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one?
The InChIKey is DAHZFABFSIWQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-12(2,3)8-13(4,5)10(14)9(16)11-15-6-7-17-11/h6-7,10H,8H2,1-5H3.
What are the key properties of 2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one?
2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one has a molecular weight of 257.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one is sourced from PubChem (CID 129233521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).