6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one

C10H10FNOS — CID 66992821

IUPAC6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(CCCF)cc2s1
InChIInChI=1S/C10H10FNOS/c11-5-1-2-7-3-4-8-9(6-7)14-10(13)12-8/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyVLQRYCRHWIIVER-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.49
Rot. Bonds3

About 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one

6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one (PubChem CID 66992821) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one
PubChem CID66992821
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC Name6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(CCCF)cc2s1
InChIInChI=1S/C10H10FNOS/c11-5-1-2-7-3-4-8-9(6-7)14-10(13)12-8/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyVLQRYCRHWIIVER-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one (CID 66992821) is 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(CCCF)cc2s1.
What is the InChIKey of 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one?
The InChIKey is VLQRYCRHWIIVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNOS/c11-5-1-2-7-3-4-8-9(6-7)14-10(13)12-8/h3-4,6H,1-2,5H2,(H,12,13).
What are the key properties of 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one?
6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one has a molecular weight of 211.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropyl)-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 66992821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).