azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid

C16H14Cl2F3NO4 — CID 171926213

IUPACazane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2cc(Cl)c(C(F)(F)F)cc2Cl)cc1)C(=O)O.N
InChIInChI=1S/C16H11Cl2F3O4.H3N/c1-8(15(22)23)24-9-2-4-10(5-3-9)25-14-7-12(17)11(6-13(14)18)16(19,20)21;/h2-8H,1H3,(H,22,23);1H3
InChIKeyHVJHLUPCISLRGB-UHFFFAOYSA-N
MW412.19 g/mol
LogP5.82
Rot. Bonds5

About azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid

azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid (PubChem CID 171926213) has the molecular formula C16H14Cl2F3NO4 and a molecular weight of 412.19 g/mol. Its IUPAC name is azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Nameazane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
PubChem CID171926213
Molecular FormulaC16H14Cl2F3NO4
Molecular Weight412.19 g/mol
Exact Mass411.03
IUPAC Nameazane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2cc(Cl)c(C(F)(F)F)cc2Cl)cc1)C(=O)O.N
InChIInChI=1S/C16H11Cl2F3O4.H3N/c1-8(15(22)23)24-9-2-4-10(5-3-9)25-14-7-12(17)11(6-13(14)18)16(19,20)21;/h2-8H,1H3,(H,22,23);1H3
InChIKeyHVJHLUPCISLRGB-UHFFFAOYSA-N
XLogP5.82
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.19
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[6-[2,6-dichloro-3-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
CID 19978816
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 13237071
2-[4-(2-chloro-4-nitrophenoxy)phenoxy]propanoic acid
CID 70626116
2-[4-[2-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 23325091
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid
CID 71391068
2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanoic acid
CID 3567903
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
CID 110193293

Frequently Asked Questions

What is the IUPAC name of azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The IUPAC name of azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid (CID 171926213) is azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid.
What is the SMILES notation for azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The canonical SMILES for azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid is CC(Oc1ccc(Oc2cc(Cl)c(C(F)(F)F)cc2Cl)cc1)C(=O)O.N.
What is the InChIKey of azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The InChIKey is HVJHLUPCISLRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3O4.H3N/c1-8(15(22)23)24-9-2-4-10(5-3-9)25-14-7-12(17)11(6-13(14)18)16(19,20)21;/h2-8H,1H3,(H,22,23);1H3.
What are the key properties of azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid has a molecular weight of 412.19 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[4-[2,5-dichloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid is sourced from PubChem (CID 171926213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).