7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol

C17H9Cl2F3O2 — CID 14372918

IUPAC7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
SMILESOc1ccc2ccc(Oc3c(Cl)cc(C(F)(F)F)cc3Cl)cc2c1
InChIInChI=1S/C17H9Cl2F3O2/c18-14-7-11(17(20,21)22)8-15(19)16(14)24-13-4-2-9-1-3-12(23)5-10(9)6-13/h1-8,23H
InChIKeyXUZMFXLGLYIEQD-UHFFFAOYSA-N
MW373.16 g/mol
LogP6.66
Rot. Bonds2

About 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol

7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol (PubChem CID 14372918) has the molecular formula C17H9Cl2F3O2 and a molecular weight of 373.16 g/mol. Its IUPAC name is 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol.

Molecular Properties

Compound Name7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
PubChem CID14372918
Molecular FormulaC17H9Cl2F3O2
Molecular Weight373.16 g/mol
Exact Mass371.99
IUPAC Name7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
SMILESOc1ccc2ccc(Oc3c(Cl)cc(C(F)(F)F)cc3Cl)cc2c1
InChIInChI=1S/C17H9Cl2F3O2/c18-14-7-11(17(20,21)22)8-15(19)16(14)24-13-4-2-9-1-3-12(23)5-10(9)6-13/h1-8,23H
InChIKeyXUZMFXLGLYIEQD-UHFFFAOYSA-N
XLogP6.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.16
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[2-Chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 13630678
7-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 21617837
2-(4-Benzyloxy-3-chloro-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 11710738
2-[[7-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-naphthalenyl]oxy]propanoic acid
CID 13630687
6-[2-Chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 14369230
5-[2-Chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 14370277
Ethyl 2-[7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate
CID 14372919
6-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 14520297
6-[2-Chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 14520298
7-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol
CID 14673678
6-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]naphthalene-2-thiol
CID 14673680
7-[2-Chloro-6-methoxy-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 14996346

Frequently Asked Questions

What is the IUPAC name of 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The IUPAC name of 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol (CID 14372918) is 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol.
What is the SMILES notation for 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The canonical SMILES for 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol is Oc1ccc2ccc(Oc3c(Cl)cc(C(F)(F)F)cc3Cl)cc2c1.
What is the InChIKey of 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The InChIKey is XUZMFXLGLYIEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3O2/c18-14-7-11(17(20,21)22)8-15(19)16(14)24-13-4-2-9-1-3-12(23)5-10(9)6-13/h1-8,23H.
What are the key properties of 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol has a molecular weight of 373.16 g/mol, XLogP of 6.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,6-dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol is sourced from PubChem (CID 14372918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).