3-(fluoromethoxy)-1,2-benzothiazole

C8H6FNOS — CID 139613345

IUPAC3-(fluoromethoxy)-1,2-benzothiazole
SMILESFCOc1nsc2ccccc12
InChIInChI=1S/C8H6FNOS/c9-5-11-8-6-3-1-2-4-7(6)12-10-8/h1-4H,5H2
InChIKeyFPGBVCDSGFKFKV-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.60
Rot. Bonds2

About 3-(fluoromethoxy)-1,2-benzothiazole

3-(fluoromethoxy)-1,2-benzothiazole (PubChem CID 139613345) has the molecular formula C8H6FNOS and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(fluoromethoxy)-1,2-benzothiazole.

Molecular Properties

Compound Name3-(fluoromethoxy)-1,2-benzothiazole
PubChem CID139613345
Molecular FormulaC8H6FNOS
Molecular Weight183.21 g/mol
Exact Mass183.02
IUPAC Name3-(fluoromethoxy)-1,2-benzothiazole
SMILESFCOc1nsc2ccccc12
InChIInChI=1S/C8H6FNOS/c9-5-11-8-6-3-1-2-4-7(6)12-10-8/h1-4H,5H2
InChIKeyFPGBVCDSGFKFKV-UHFFFAOYSA-N
XLogP2.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxy-1,2-benzisothiazole
CID 38736
1,2-Benzisothiazol-5-amine, 3-methoxy-
CID 163034
1,2-Benzisothiazole, 3-(3-(diethylamino)propoxy)-, monohydrochloride
CID 210573
1,2-Benzisothiazole, 3-(2-(diethylamino)ethoxy)-, monohydrochloride
CID 210579
Ethanaminium, 2-(1,2-benzisothiazol-3-yloxy)-N,N,N-trimethyl-, iodide
CID 212754
3-Octoxy-1,2-benzothiazole
CID 57398501
3-[(4-Phenylphenyl)methoxy]-1,2-benzothiazole
CID 57403712
1,2-Benzisothiazole, 3-ethoxy-
CID 592150
1,2-Benzisothiazol-7-amine, 3-methoxy-
CID 198469
3-(Oxiranylmethoxy)-1,2-benzisothiazole
CID 198667
1,2-Benzisothiazol-6-amine, 3-methoxy-
CID 198769
5-Methoxy-3-methylbenzo[d]isothiazole
CID 12607085

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)-1,2-benzothiazole?
The IUPAC name of 3-(fluoromethoxy)-1,2-benzothiazole (CID 139613345) is 3-(fluoromethoxy)-1,2-benzothiazole.
What is the SMILES notation for 3-(fluoromethoxy)-1,2-benzothiazole?
The canonical SMILES for 3-(fluoromethoxy)-1,2-benzothiazole is FCOc1nsc2ccccc12.
What is the InChIKey of 3-(fluoromethoxy)-1,2-benzothiazole?
The InChIKey is FPGBVCDSGFKFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNOS/c9-5-11-8-6-3-1-2-4-7(6)12-10-8/h1-4H,5H2.
What are the key properties of 3-(fluoromethoxy)-1,2-benzothiazole?
3-(fluoromethoxy)-1,2-benzothiazole has a molecular weight of 183.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)-1,2-benzothiazole is sourced from PubChem (CID 139613345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).