1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one

C6H5F2NOS — CID 112642475

IUPAC1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)C(F)F
InChIInChI=1S/C6H5F2NOS/c7-6(8)5(10)1-4-2-9-3-11-4/h2-3,6H,1H2
InChIKeyZOJWFZVLJSVSCM-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.52
Rot. Bonds3

About 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one

1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 112642475) has the molecular formula C6H5F2NOS and a molecular weight of 177.18 g/mol. Its IUPAC name is 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID112642475
Molecular FormulaC6H5F2NOS
Molecular Weight177.18 g/mol
Exact Mass177.01
IUPAC Name1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)C(F)F
InChIInChI=1S/C6H5F2NOS/c7-6(8)5(10)1-4-2-9-3-11-4/h2-3,6H,1H2
InChIKeyZOJWFZVLJSVSCM-UHFFFAOYSA-N
XLogP1.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one (CID 112642475) is 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one is O=C(Cc1cncs1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is ZOJWFZVLJSVSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NOS/c7-6(8)5(10)1-4-2-9-3-11-4/h2-3,6H,1H2.
What are the key properties of 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one?
1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 177.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 112642475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).