3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid

C11H6Cl2F3NO3 — CID 174938953

IUPAC3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESClc1cccc(Cl)c1-c1ccon1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H5Cl2NO.C2HF3O2/c10-6-2-1-3-7(11)9(6)8-4-5-13-12-8;3-2(4,5)1(6)7/h1-5H;(H,6,7)
InChIKeyVUPKVYPFNILGQN-UHFFFAOYSA-N
MW328.07 g/mol
LogP4.28
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid

3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid (PubChem CID 174938953) has the molecular formula C11H6Cl2F3NO3 and a molecular weight of 328.07 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
PubChem CID174938953
Molecular FormulaC11H6Cl2F3NO3
Molecular Weight328.07 g/mol
Exact Mass326.97
IUPAC Name3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESClc1cccc(Cl)c1-c1ccon1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H5Cl2NO.C2HF3O2/c10-6-2-1-3-7(11)9(6)8-4-5-13-12-8;3-2(4,5)1(6)7/h1-5H;(H,6,7)
InChIKeyVUPKVYPFNILGQN-UHFFFAOYSA-N
XLogP4.28
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.07
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichlorobenzoic acid;2,2,2-trifluoroacetic acid
CID 68862706
carbamic acid;3-phenyl-1,2-oxazole
CID 175520433
2-[2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118841766
[4-chloro-3-(1,2-oxazol-3-yl)phenyl]-phenylmethanone
CID 175076754
3-methyl-2-(1,2-oxazol-3-yl)aniline
CID 18757279
carbonyl dichloride;3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
CID 21394179
(2-chlorophenyl)-(1,2-oxazol-3-yl)methanone
CID 12013130
2-[6-(2,6-dichlorophenyl)-2-fluoro-3-pyridinyl]acetic acid
CID 133091022
5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 175889277
5-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356026
(4R)-4-amino-7-[(2,2-dichloroacetyl)-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]-5-oxoheptanoic acid;2,2,2-trifluoroacetic acid
CID 86608879
benzene-1,3-diol;2,2,2-trifluoroacetic acid
CID 70611467

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid (CID 174938953) is 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid is Clc1cccc(Cl)c1-c1ccon1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid?
The InChIKey is VUPKVYPFNILGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO.C2HF3O2/c10-6-2-1-3-7(11)9(6)8-4-5-13-12-8;3-2(4,5)1(6)7/h1-5H;(H,6,7).
What are the key properties of 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid?
3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid has a molecular weight of 328.07 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1,2-oxazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174938953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).