2-(trifluoromethylsulfinyl)-1,3-benzoxazole

C8H4F3NO2S — CID 90258875

IUPAC2-(trifluoromethylsulfinyl)-1,3-benzoxazole
SMILESO=S(c1nc2ccccc2o1)C(F)(F)F
InChIInChI=1S/C8H4F3NO2S/c9-8(10,11)15(13)7-12-5-3-1-2-4-6(5)14-7/h1-4H
InChIKeyNYBOWDJKVBGHRF-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.46
Rot. Bonds1

About 2-(trifluoromethylsulfinyl)-1,3-benzoxazole

2-(trifluoromethylsulfinyl)-1,3-benzoxazole (PubChem CID 90258875) has the molecular formula C8H4F3NO2S and a molecular weight of 235.19 g/mol. Its IUPAC name is 2-(trifluoromethylsulfinyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(trifluoromethylsulfinyl)-1,3-benzoxazole
PubChem CID90258875
Molecular FormulaC8H4F3NO2S
Molecular Weight235.19 g/mol
Exact Mass234.99
IUPAC Name2-(trifluoromethylsulfinyl)-1,3-benzoxazole
SMILESO=S(c1nc2ccccc2o1)C(F)(F)F
InChIInChI=1S/C8H4F3NO2S/c9-8(10,11)15(13)7-12-5-3-1-2-4-6(5)14-7/h1-4H
InChIKeyNYBOWDJKVBGHRF-UHFFFAOYSA-N
XLogP2.46
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3-benzoxazole
CID 87259215
2-[bromo(difluoro)methyl]-1,3-benzoxazole
CID 10681971
2-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 154146633
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethane-1,1-diol
CID 119082013
2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]-1,3-benzoxazole
CID 97166130
2-piperidin-3-ylsulfinyl-1,3-benzoxazole
CID 71645989
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone
CID 5278386
2-(1,2,2,2-tetrafluoroethyldisulfanyl)-1,3-benzoxazole
CID 175421252
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
tert-butyl 4-(1,3-benzoxazol-2-ylsulfinyl)piperidine-1-carboxylate
CID 71630000
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-3,3,3-trifluoropropanoic acid
CID 80996507

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfinyl)-1,3-benzoxazole?
The IUPAC name of 2-(trifluoromethylsulfinyl)-1,3-benzoxazole (CID 90258875) is 2-(trifluoromethylsulfinyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(trifluoromethylsulfinyl)-1,3-benzoxazole?
The canonical SMILES for 2-(trifluoromethylsulfinyl)-1,3-benzoxazole is O=S(c1nc2ccccc2o1)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfinyl)-1,3-benzoxazole?
The InChIKey is NYBOWDJKVBGHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO2S/c9-8(10,11)15(13)7-12-5-3-1-2-4-6(5)14-7/h1-4H.
What are the key properties of 2-(trifluoromethylsulfinyl)-1,3-benzoxazole?
2-(trifluoromethylsulfinyl)-1,3-benzoxazole has a molecular weight of 235.19 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfinyl)-1,3-benzoxazole is sourced from PubChem (CID 90258875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).