2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one

C6H5F2NOS — CID 130657723

IUPAC2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one
SMILESCC(F)(F)C(=O)c1cscn1
InChIInChI=1S/C6H5F2NOS/c1-6(7,8)5(10)4-2-11-3-9-4/h2-3H,1H3
InChIKeyLDZNEOUYZFUDAO-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.98
Rot. Bonds2

About 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one

2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 130657723) has the molecular formula C6H5F2NOS and a molecular weight of 177.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one
PubChem CID130657723
Molecular FormulaC6H5F2NOS
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC Name2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one
SMILESCC(F)(F)C(=O)c1cscn1
InChIInChI=1S/C6H5F2NOS/c1-6(7,8)5(10)4-2-11-3-9-4/h2-3H,1H3
InChIKeyLDZNEOUYZFUDAO-UHFFFAOYSA-N
XLogP1.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one (CID 130657723) is 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one is CC(F)(F)C(=O)c1cscn1.
What is the InChIKey of 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is LDZNEOUYZFUDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NOS/c1-6(7,8)5(10)4-2-11-3-9-4/h2-3H,1H3.
What are the key properties of 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one?
2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 177.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 130657723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).