7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole

C10H4F7NS — CID 22625182

IUPAC7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole
SMILESFC(F)(F)C(F)(c1cccc2ncsc12)C(F)(F)F
InChIInChI=1S/C10H4F7NS/c11-8(9(12,13)14,10(15,16)17)5-2-1-3-6-7(5)19-4-18-6/h1-4H
InChIKeyVPBAPQYSHDXXBJ-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.59
Rot. Bonds1

About 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole

7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole (PubChem CID 22625182) has the molecular formula C10H4F7NS and a molecular weight of 303.20 g/mol. Its IUPAC name is 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole
PubChem CID22625182
Molecular FormulaC10H4F7NS
Molecular Weight303.20 g/mol
Exact Mass303.00
IUPAC Name7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole
SMILESFC(F)(F)C(F)(c1cccc2ncsc12)C(F)(F)F
InChIInChI=1S/C10H4F7NS/c11-8(9(12,13)14,10(15,16)17)5-2-1-3-6-7(5)19-4-18-6/h1-4H
InChIKeyVPBAPQYSHDXXBJ-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole?
The IUPAC name of 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole (CID 22625182) is 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole?
The canonical SMILES for 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole is FC(F)(F)C(F)(c1cccc2ncsc12)C(F)(F)F.
What is the InChIKey of 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole?
The InChIKey is VPBAPQYSHDXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F7NS/c11-8(9(12,13)14,10(15,16)17)5-2-1-3-6-7(5)19-4-18-6/h1-4H.
What are the key properties of 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole?
7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole has a molecular weight of 303.20 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 22625182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).