4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole

C10H7ClFNOS — CID 82705907

IUPAC4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1cc(OCc2cscn2)ccc1Cl
InChIInChI=1S/C10H7ClFNOS/c11-9-2-1-8(3-10(9)12)14-4-7-5-15-6-13-7/h1-3,5-6H,4H2
InChIKeyGVBCRQIQNYNLTN-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.51
Rot. Bonds3

About 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole

4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 82705907) has the molecular formula C10H7ClFNOS and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID82705907
Molecular FormulaC10H7ClFNOS
Molecular Weight243.69 g/mol
Exact Mass242.99
IUPAC Name4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1cc(OCc2cscn2)ccc1Cl
InChIInChI=1S/C10H7ClFNOS/c11-9-2-1-8(3-10(9)12)14-4-7-5-15-6-13-7/h1-3,5-6H,4H2
InChIKeyGVBCRQIQNYNLTN-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole (CID 82705907) is 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole is Fc1cc(OCc2cscn2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is GVBCRQIQNYNLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNOS/c11-9-2-1-8(3-10(9)12)14-4-7-5-15-6-13-7/h1-3,5-6H,4H2.
What are the key properties of 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole?
4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 243.69 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 82705907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).