3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole

C9H7FN2OS — CID 130899394

IUPAC3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole
SMILESFc1cccc(OCc2cnsn2)c1
InChIInChI=1S/C9H7FN2OS/c10-7-2-1-3-9(4-7)13-6-8-5-11-14-12-8/h1-5H,6H2
InChIKeyAPLWYTVVWUHJNA-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.26
Rot. Bonds3

About 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole

3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole (PubChem CID 130899394) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole
PubChem CID130899394
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole
SMILESFc1cccc(OCc2cnsn2)c1
InChIInChI=1S/C9H7FN2OS/c10-7-2-1-3-9(4-7)13-6-8-5-11-14-12-8/h1-5H,6H2
InChIKeyAPLWYTVVWUHJNA-UHFFFAOYSA-N
XLogP2.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
CID 117215650
3-[(3-fluorophenyl)sulfinylmethyl]-1,2,5-thiadiazole
CID 130927637
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine
CID 117187295
5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole
CID 117187944
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
3-[(3-fluorophenoxy)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 173382890
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
CID 117188384
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole (CID 130899394) is 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole is Fc1cccc(OCc2cnsn2)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole?
The InChIKey is APLWYTVVWUHJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-7-2-1-3-9(4-7)13-6-8-5-11-14-12-8/h1-5H,6H2.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole?
3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole has a molecular weight of 210.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole is sourced from PubChem (CID 130899394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).