6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole

C10H5F6NO2 — CID 140979389

IUPAC6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole
SMILESFC(C(F)(F)F)C(F)(F)Oc1ccc2cnoc2c1
InChIInChI=1S/C10H5F6NO2/c11-8(9(12,13)14)10(15,16)18-6-2-1-5-4-17-19-7(5)3-6/h1-4,8H
InChIKeyNYSLWDFISJNOCT-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.70
Rot. Bonds3

About 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole

6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole (PubChem CID 140979389) has the molecular formula C10H5F6NO2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole.

Molecular Properties

Compound Name6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole
PubChem CID140979389
Molecular FormulaC10H5F6NO2
Molecular Weight285.14 g/mol
Exact Mass285.02
IUPAC Name6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole
SMILESFC(C(F)(F)F)C(F)(F)Oc1ccc2cnoc2c1
InChIInChI=1S/C10H5F6NO2/c11-8(9(12,13)14)10(15,16)18-6-2-1-5-4-17-19-7(5)3-6/h1-4,8H
InChIKeyNYSLWDFISJNOCT-UHFFFAOYSA-N
XLogP3.70
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-1,2-benzoxazol-3-amine
CID 10678579
7-Chloro-6-methoxy-1,2-benzoxazole
CID 14012504
3-Chloro-6-methoxy-1,2-benzoxazole
CID 15816924
3-(2-Fluorophenyl)-6-methoxy-1,2-benzisoxazole
CID 13015730
4-(trifluoromethyl)-4H-chromeno[3,4-d][1,2]oxazol-4-ol
CID 16762721
6-Methoxy-3-methyl-1,2-benzoxazole
CID 12624673
Furo[2,3-g]-1,2-benzisoxazole
CID 67813117
Benzo[d]isoxazole-4,6-diol
CID 136024976
3-(4-Fluorophenyl)-1,2-benzoxazol-6-yl acetate
CID 39347721
3-Trifluoromethyl-7-propyl-6-(3-bromopropyloxy)-benzisoxazole
CID 12031259
3-(2,5-Difluorophenyl)-6-methoxy-1,2-benzisoxazole
CID 14012541
1-(6-[3-(Trifluoromethyl)benzyloxy]-1,2-benzisoxazol-3-yl)ethanone
CID 19068185

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole?
The IUPAC name of 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole (CID 140979389) is 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole.
What is the SMILES notation for 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole?
The canonical SMILES for 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole is FC(C(F)(F)F)C(F)(F)Oc1ccc2cnoc2c1.
What is the InChIKey of 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole?
The InChIKey is NYSLWDFISJNOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6NO2/c11-8(9(12,13)14)10(15,16)18-6-2-1-5-4-17-19-7(5)3-6/h1-4,8H.
What are the key properties of 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole?
6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole has a molecular weight of 285.14 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,3,3,3-hexafluoropropoxy)-1,2-benzoxazole is sourced from PubChem (CID 140979389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).