2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one

C7H8FNOS — CID 58297584

IUPAC2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one
SMILESCCC(F)C(=O)c1nccs1
InChIInChI=1S/C7H8FNOS/c1-2-5(8)6(10)7-9-3-4-11-7/h3-5H,2H2,1H3
InChIKeyHWBKEQYYBRKSPO-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.07
Rot. Bonds3

About 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one

2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one (PubChem CID 58297584) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one
PubChem CID58297584
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one
SMILESCCC(F)C(=O)c1nccs1
InChIInChI=1S/C7H8FNOS/c1-2-5(8)6(10)7-9-3-4-11-7/h3-5H,2H2,1H3
InChIKeyHWBKEQYYBRKSPO-UHFFFAOYSA-N
XLogP2.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one?
The IUPAC name of 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one (CID 58297584) is 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one.
What is the SMILES notation for 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one?
The canonical SMILES for 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one is CCC(F)C(=O)c1nccs1.
What is the InChIKey of 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one?
The InChIKey is HWBKEQYYBRKSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-2-5(8)6(10)7-9-3-4-11-7/h3-5H,2H2,1H3.
What are the key properties of 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one?
2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one has a molecular weight of 173.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-one is sourced from PubChem (CID 58297584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).