5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

C8H9F4NOS — CID 103477035

IUPAC5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCc1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C8H9F4NOS/c1-5-2-13-6(15-5)3-14-4-8(11,12)7(9)10/h2,7H,3-4H2,1H3
InChIKeyKLBPRDJTCBHHJZ-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.87
Rot. Bonds5

About 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole

5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (PubChem CID 103477035) has the molecular formula C8H9F4NOS and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
PubChem CID103477035
Molecular FormulaC8H9F4NOS
Molecular Weight243.22 g/mol
Exact Mass243.03
IUPAC Name5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESCc1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C8H9F4NOS/c1-5-2-13-6(15-5)3-14-4-8(11,12)7(9)10/h2,7H,3-4H2,1H3
InChIKeyKLBPRDJTCBHHJZ-UHFFFAOYSA-N
XLogP2.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.87
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 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (CID 103477035) is 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is Cc1cnc(COCC(F)(F)C(F)F)s1.
What is the InChIKey of 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is KLBPRDJTCBHHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NOS/c1-5-2-13-6(15-5)3-14-4-8(11,12)7(9)10/h2,7H,3-4H2,1H3.
What are the key properties of 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 243.22 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103477035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).