1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one

C9H9F4NO2S — CID 103473723

IUPAC1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(COCC(F)(F)C(F)F)Cc1nccs1
InChIInChI=1S/C9H9F4NO2S/c10-8(11)9(12,13)5-16-4-6(15)3-7-14-1-2-17-7/h1-2,8H,3-5H2
InChIKeyKCSMLVBBQWOCEZ-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.17
Rot. Bonds7

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

1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 103473723) has the molecular formula C9H9F4NO2S and a molecular weight of 271.23 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID103473723
Molecular FormulaC9H9F4NO2S
Molecular Weight271.23 g/mol
Exact Mass271.03
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(COCC(F)(F)C(F)F)Cc1nccs1
InChIInChI=1S/C9H9F4NO2S/c10-8(11)9(12,13)5-16-4-6(15)3-7-14-1-2-17-7/h1-2,8H,3-5H2
InChIKeyKCSMLVBBQWOCEZ-UHFFFAOYSA-N
XLogP2.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473624
1-propan-2-yloxy-3-(1,3-thiazol-2-yl)propan-2-one
CID 105118060
1-(2-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473795
4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 103023379
2-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 103473361
1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473693
1-(2-bromo-3-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473771
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473738
1-(4-chloro-3-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 107884171
1,1,1-trifluoro-4-(1,3-thiazol-2-yl)butane-2,3-dione;hydrate
CID 154703079
4,5,5-trimethyl-1-(1,3-thiazol-2-yl)hexan-2-one
CID 115786460
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one (CID 103473723) is 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one is O=C(COCC(F)(F)C(F)F)Cc1nccs1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is KCSMLVBBQWOCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO2S/c10-8(11)9(12,13)5-16-4-6(15)3-7-14-1-2-17-7/h1-2,8H,3-5H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one?
1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 271.23 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 103473723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).