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

C6H3F4NOS — CID 130610107

IUPAC2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one
SMILESO=C(c1cscn1)C(F)(F)C(F)F
InChIInChI=1S/C6H3F4NOS/c7-5(8)6(9,10)4(12)3-1-13-2-11-3/h1-2,5H
InChIKeyCHJNTMIUSWSMKN-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.23
Rot. Bonds3

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

2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 130610107) has the molecular formula C6H3F4NOS and a molecular weight of 213.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one
PubChem CID130610107
Molecular FormulaC6H3F4NOS
Molecular Weight213.16 g/mol
Exact Mass212.99
IUPAC Name2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one
SMILESO=C(c1cscn1)C(F)(F)C(F)F
InChIInChI=1S/C6H3F4NOS/c7-5(8)6(9,10)4(12)3-1-13-2-11-3/h1-2,5H
InChIKeyCHJNTMIUSWSMKN-UHFFFAOYSA-N
XLogP2.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one (CID 130610107) is 2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one is O=C(c1cscn1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is CHJNTMIUSWSMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NOS/c7-5(8)6(9,10)4(12)3-1-13-2-11-3/h1-2,5H.
What are the key properties of 2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 213.16 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 130610107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).