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

C9H9F4NO2S — CID 103473773

IUPAC1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(COCC(F)(F)C(F)F)Cc1cncs1
InChIInChI=1S/C9H9F4NO2S/c10-8(11)9(12,13)4-16-3-6(15)1-7-2-14-5-17-7/h2,5,8H,1,3-4H2
InChIKeyWLOKSFBCZCBARH-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.17
Rot. Bonds7

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

1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 103473773) 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-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID103473773
Molecular FormulaC9H9F4NO2S
Molecular Weight271.23 g/mol
Exact Mass271.03
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(COCC(F)(F)C(F)F)Cc1cncs1
InChIInChI=1S/C9H9F4NO2S/c10-8(11)9(12,13)4-16-3-6(15)1-7-2-14-5-17-7/h2,5,8H,1,3-4H2
InChIKeyWLOKSFBCZCBARH-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one (CID 103473773) is 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one is O=C(COCC(F)(F)C(F)F)Cc1cncs1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is WLOKSFBCZCBARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO2S/c10-8(11)9(12,13)4-16-3-6(15)1-7-2-14-5-17-7/h2,5,8H,1,3-4H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-yl)propan-2-one?
1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-5-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-5-yl)propan-2-one is sourced from PubChem (CID 103473773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).