2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole

C9H5ClF3NO2 — CID 155083784

IUPAC2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole
SMILESFC(F)(F)COc1ccc2nc(Cl)oc2c1
InChIInChI=1S/C9H5ClF3NO2/c10-8-14-6-2-1-5(3-7(6)16-8)15-4-9(11,12)13/h1-3H,4H2
InChIKeyOUMAPOCNFNATEA-UHFFFAOYSA-N
MW251.59 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole

2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole (PubChem CID 155083784) has the molecular formula C9H5ClF3NO2 and a molecular weight of 251.59 g/mol. Its IUPAC name is 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole
PubChem CID155083784
Molecular FormulaC9H5ClF3NO2
Molecular Weight251.59 g/mol
Exact Mass251.00
IUPAC Name2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole
SMILESFC(F)(F)COc1ccc2nc(Cl)oc2c1
InChIInChI=1S/C9H5ClF3NO2/c10-8-14-6-2-1-5(3-7(6)16-8)15-4-9(11,12)13/h1-3H,4H2
InChIKeyOUMAPOCNFNATEA-UHFFFAOYSA-N
XLogP3.42
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.59
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole
CID 170558440
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
N,N-dimethyl-4-[2-[6-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1,3-benzoxazol-2-yl]ethenyl]aniline
CID 78144648
2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole
CID 134297312
methyl 6-(2,2,2-trifluoroethoxy)quinoline-2-carboxylate
CID 102941448
1-ethenyl-2-fluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 175665868
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide
CID 177252901
2-(1H-pyrazol-4-yl)-6-(2,2,2-trifluoroethoxy)quinoline
CID 166393711
N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
CID 58484027
3-(2,2,2-trifluoroethoxy)benzoyl chloride
CID 95928099
CID 89284542
CID 89284542

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole?
The IUPAC name of 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole (CID 155083784) is 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole?
The canonical SMILES for 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole is FC(F)(F)COc1ccc2nc(Cl)oc2c1.
What is the InChIKey of 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole?
The InChIKey is OUMAPOCNFNATEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3NO2/c10-8-14-6-2-1-5(3-7(6)16-8)15-4-9(11,12)13/h1-3H,4H2.
What are the key properties of 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole?
2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole has a molecular weight of 251.59 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole is sourced from PubChem (CID 155083784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).