2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole

C11H10FNO2S — CID 91181321

IUPAC2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole
SMILESFCOc1ccc(OCc2nccs2)cc1
InChIInChI=1S/C11H10FNO2S/c12-8-15-10-3-1-9(2-4-10)14-7-11-13-5-6-16-11/h1-6H,7-8H2
InChIKeySIFUNFFLONRHHN-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.03
Rot. Bonds5

About 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole

2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole (PubChem CID 91181321) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole
PubChem CID91181321
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole
SMILESFCOc1ccc(OCc2nccs2)cc1
InChIInChI=1S/C11H10FNO2S/c12-8-15-10-3-1-9(2-4-10)14-7-11-13-5-6-16-11/h1-6H,7-8H2
InChIKeySIFUNFFLONRHHN-UHFFFAOYSA-N
XLogP3.03
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole (CID 91181321) is 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole is FCOc1ccc(OCc2nccs2)cc1.
What is the InChIKey of 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole?
The InChIKey is SIFUNFFLONRHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c12-8-15-10-3-1-9(2-4-10)14-7-11-13-5-6-16-11/h1-6H,7-8H2.
What are the key properties of 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole?
2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole has a molecular weight of 239.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(fluoromethoxy)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 91181321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).