MVFIORFWFNLYRP-UHFFFAOYSA-N

C₈H₅F₂NOS — CID 121231923

About MVFIORFWFNLYRP-UHFFFAOYSA-N

MVFIORFWFNLYRP-UHFFFAOYSA-N (PubChem CID 121231923) has the molecular formula C₈H₅F₂NOS and a molecular weight of 201.20 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1,2-benzothiazole.

Molecular Properties

• Compound Name: MVFIORFWFNLYRP-UHFFFAOYSA-N
• PubChem CID: 121231923
• Molecular Formula: C₈H₅F₂NOS
• Molecular Weight: 201.20 g/mol
• Exact Mass: 201.01
• IUPAC Name: 6-(difluoromethoxy)-1,2-benzothiazole
• SMILES: FC(F)Oc1ccc2cnsc2c1
• InChI: InChI=1S/C8H5F2NOS/c9-8(10)12-6-2-1-5-4-11-13-7(5)3-6/h1-4,8H
• InChIKey: MVFIORFWFNLYRP-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 22.12 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	201.20
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of MVFIORFWFNLYRP-UHFFFAOYSA-N?

The IUPAC name of MVFIORFWFNLYRP-UHFFFAOYSA-N (CID 121231923) is 6-(difluoromethoxy)-1,2-benzothiazole.

What is the SMILES notation for MVFIORFWFNLYRP-UHFFFAOYSA-N?

The canonical SMILES for MVFIORFWFNLYRP-UHFFFAOYSA-N is FC(F)Oc1ccc2cnsc2c1.

What is the InChIKey of MVFIORFWFNLYRP-UHFFFAOYSA-N?

The InChIKey is MVFIORFWFNLYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NOS/c9-8(10)12-6-2-1-5-4-11-13-7(5)3-6/h1-4,8H.

What are the key properties of MVFIORFWFNLYRP-UHFFFAOYSA-N?

MVFIORFWFNLYRP-UHFFFAOYSA-N has a molecular weight of 201.20 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for MVFIORFWFNLYRP-UHFFFAOYSA-N is sourced from PubChem (CID 121231923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121231923 — identifiers, structure, computed properties (public domain)

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