2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole

C9H4F5NOS — CID 118826188

IUPAC2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
SMILESFC(F)c1nc2cc(SC(F)(F)F)ccc2o1
InChIInChI=1S/C9H4F5NOS/c10-7(11)8-15-5-3-4(17-9(12,13)14)1-2-6(5)16-8/h1-3,7H
InChIKeyPNKYDXZLFOFBEK-UHFFFAOYSA-N
MW269.19 g/mol
LogP4.38
Rot. Bonds2

About 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole

2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole (PubChem CID 118826188) has the molecular formula C9H4F5NOS and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
PubChem CID118826188
Molecular FormulaC9H4F5NOS
Molecular Weight269.19 g/mol
Exact Mass268.99
IUPAC Name2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
SMILESFC(F)c1nc2cc(SC(F)(F)F)ccc2o1
InChIInChI=1S/C9H4F5NOS/c10-7(11)8-15-5-3-4(17-9(12,13)14)1-2-6(5)16-8/h1-3,7H
InChIKeyPNKYDXZLFOFBEK-UHFFFAOYSA-N
XLogP4.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole (CID 118826188) is 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole is FC(F)c1nc2cc(SC(F)(F)F)ccc2o1.
What is the InChIKey of 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The InChIKey is PNKYDXZLFOFBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F5NOS/c10-7(11)8-15-5-3-4(17-9(12,13)14)1-2-6(5)16-8/h1-3,7H.
What are the key properties of 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole?
2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole has a molecular weight of 269.19 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 118826188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).