ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole

C16H14F3NO2 — CID 142140650

IUPACethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole
SMILESCC.FC(F)(F)Oc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C14H8F3NO2.C2H6/c15-14(16,17)20-11-7-3-1-5-9(11)13-18-10-6-2-4-8-12(10)19-13;1-2/h1-8H;1-2H3
InChIKeyJAHLJJWLAPVKMR-UHFFFAOYSA-N
MW309.29 g/mol
LogP5.42
Rot. Bonds2

About ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole

ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole (PubChem CID 142140650) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Nameethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole
PubChem CID142140650
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Nameethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole
SMILESCC.FC(F)(F)Oc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C14H8F3NO2.C2H6/c15-14(16,17)20-11-7-3-1-5-9(11)13-18-10-6-2-4-8-12(10)19-13;1-2/h1-8H;1-2H3
InChIKeyJAHLJJWLAPVKMR-UHFFFAOYSA-N
XLogP5.42
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.29
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
[2-(1,3-benzoxazol-2-yl)-5-chlorophenyl] 2-(trifluoromethoxy)benzenesulfonate
CID 83290167
CID 168730973
CID 168730973
CID 59002462
CID 59002462
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid
CID 70870821
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185237
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
2-(4-bromo-2-ethoxyphenyl)-1,3-benzoxazole
CID 135333421

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole?
The IUPAC name of ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole (CID 142140650) is ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole.
What is the SMILES notation for ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole?
The canonical SMILES for ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole is CC.FC(F)(F)Oc1ccccc1-c1nc2ccccc2o1.
What is the InChIKey of ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole?
The InChIKey is JAHLJJWLAPVKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO2.C2H6/c15-14(16,17)20-11-7-3-1-5-9(11)13-18-10-6-2-4-8-12(10)19-13;1-2/h1-8H;1-2H3.
What are the key properties of ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole?
ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole has a molecular weight of 309.29 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 142140650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).