[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium

C8H6ClF3NO2+ — CID 154675748

IUPAC[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium
SMILESO=[NH+]c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C8H5ClF3NO2/c9-5-1-2-7(6(3-5)13-14)15-4-8(10,11)12/h1-3H,4H2/p+1
InChIKeyDIUCBLNLWVIWPF-UHFFFAOYSA-O
MW240.59 g/mol
LogP1.76
Rot. Bonds3

About [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium

[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium (PubChem CID 154675748) has the molecular formula C8H6ClF3NO2+ and a molecular weight of 240.59 g/mol. Its IUPAC name is [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium.

Molecular Properties

Compound Name[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium
PubChem CID154675748
Molecular FormulaC8H6ClF3NO2+
Molecular Weight240.59 g/mol
Exact Mass240.00
IUPAC Name[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium
SMILESO=[NH+]c1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C8H5ClF3NO2/c9-5-1-2-7(6(3-5)13-14)15-4-8(10,11)12/h1-3H,4H2/p+1
InChIKeyDIUCBLNLWVIWPF-UHFFFAOYSA-O
XLogP1.76
TPSA40.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.59
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
CID 18741298
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 154968259
2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene
CID 135154916
[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 86725584
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 63094186
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
2-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119324701
3-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-fluoro-6-(fluoromethyl)-1H-indol-2-one
CID 10200492

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium?
The IUPAC name of [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium (CID 154675748) is [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium.
What is the SMILES notation for [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium?
The canonical SMILES for [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium is O=[NH+]c1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium?
The InChIKey is DIUCBLNLWVIWPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H5ClF3NO2/c9-5-1-2-7(6(3-5)13-14)15-4-8(10,11)12/h1-3H,4H2/p+1.
What are the key properties of [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium?
[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium has a molecular weight of 240.59 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium is sourced from PubChem (CID 154675748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).