4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

C10H13F4NO3S — CID 103473403

IUPAC4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13F4NO3S/c1-16-8(17-2)6-4-19-7(15-6)3-18-5-10(13,14)9(11)12/h4,8-9H,3,5H2,1-2H3
InChIKeyXKQPAKGQXXIASL-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.85
Rot. Bonds8

About 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (PubChem CID 103473403) has the molecular formula C10H13F4NO3S and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
PubChem CID103473403
Molecular FormulaC10H13F4NO3S
Molecular Weight303.28 g/mol
Exact Mass303.06
IUPAC Name4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H13F4NO3S/c1-16-8(17-2)6-4-19-7(15-6)3-18-5-10(13,14)9(11)12/h4,8-9H,3,5H2,1-2H3
InChIKeyXKQPAKGQXXIASL-UHFFFAOYSA-N
XLogP2.85
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (CID 103473403) is 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is COC(OC)c1csc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is XKQPAKGQXXIASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NO3S/c1-16-8(17-2)6-4-19-7(15-6)3-18-5-10(13,14)9(11)12/h4,8-9H,3,5H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 303.28 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103473403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).