(2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid

C20H14ClF3O4 — CID 18610843

IUPAC(2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
SMILESC[C@@H](Oc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1)C(=O)O
InChIInChI=1S/C20H14ClF3O4/c1-11(19(25)26)27-15-5-2-12-3-6-16(9-13(12)8-15)28-18-7-4-14(10-17(18)21)20(22,23)24/h2-11H,1H3,(H,25,26)/t11-/m1/s1
InChIKeyIZYLQXRDYNBRIT-LLVKDONJSA-N
MW410.78 g/mol
LogP6.16
Rot. Bonds5

About (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid

(2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid (PubChem CID 18610843) has the molecular formula C20H14ClF3O4 and a molecular weight of 410.78 g/mol. Its IUPAC name is (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
PubChem CID18610843
Molecular FormulaC20H14ClF3O4
Molecular Weight410.78 g/mol
Exact Mass410.05
IUPAC Name(2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
SMILESC[C@@H](Oc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1)C(=O)O
InChIInChI=1S/C20H14ClF3O4/c1-11(19(25)26)27-15-5-2-12-3-6-16(9-13(12)8-15)28-18-7-4-14(10-17(18)21)20(22,23)24/h2-11H,1H3,(H,25,26)/t11-/m1/s1
InChIKeyIZYLQXRDYNBRIT-LLVKDONJSA-N
XLogP6.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.78
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lonaprofen
CID 68665
7-[2-Chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 13630678
(2R)-2-[2,6-dichloro-4-[4-(trifluoromethoxy)phenyl]phenoxy]-3-phenylpropanoic acid
CID 10116163
2-{4-[2-Chloro-4-(trifluoromethyl)phenoxy]phenoxy}propanoic acid
CID 12906017
2-[3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 12906263
Methyl 3-(2'-chloro-4'-trifluoromethylphenoxy)-benzoxyacetate
CID 13090689
2-[2-Chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 13186120
2-[3-(2,6-Dichloro-4-trifluoromethyl-phenoxy)phenoxy]-propionic acid
CID 13391436
Methoxycarbonylmethyl 3-(2'-chloro-4'-trifluoromethylphenoxy)phenylacetate
CID 13630152
Ethyl 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate
CID 13630679
2-Ethoxyethyl 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate
CID 13630680
Ethyl 2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxy-3-methylbutanoate
CID 13630682

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid?
The IUPAC name of (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid (CID 18610843) is (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid.
What is the SMILES notation for (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid?
The canonical SMILES for (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid is C[C@@H](Oc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1)C(=O)O.
What is the InChIKey of (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid?
The InChIKey is IZYLQXRDYNBRIT-LLVKDONJSA-N. The full InChI is InChI=1S/C20H14ClF3O4/c1-11(19(25)26)27-15-5-2-12-3-6-16(9-13(12)8-15)28-18-7-4-14(10-17(18)21)20(22,23)24/h2-11H,1H3,(H,25,26)/t11-/m1/s1.
What are the key properties of (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid?
(2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid has a molecular weight of 410.78 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid is sourced from PubChem (CID 18610843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).