3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole

C14H8F3NS — CID 76546011

IUPAC3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
SMILESFC(F)(F)c1ccc(-c2nsc3ccccc23)cc1
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)19-18-13/h1-8H
InChIKeyUGVNIOQZVQSBKI-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.98
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole

3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole (PubChem CID 76546011) has the molecular formula C14H8F3NS and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
PubChem CID76546011
Molecular FormulaC14H8F3NS
Molecular Weight279.29 g/mol
Exact Mass279.03
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
SMILESFC(F)(F)c1ccc(-c2nsc3ccccc23)cc1
InChIInChI=1S/C14H8F3NS/c15-14(16,17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)19-18-13/h1-8H
InChIKeyUGVNIOQZVQSBKI-UHFFFAOYSA-N
XLogP4.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole (CID 76546011) is 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole is FC(F)(F)c1ccc(-c2nsc3ccccc23)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole?
The InChIKey is UGVNIOQZVQSBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NS/c15-14(16,17)10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)19-18-13/h1-8H.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole?
3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole has a molecular weight of 279.29 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole is sourced from PubChem (CID 76546011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).