6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol

C17H9ClF4O2 — CID 19978826

IUPAC6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
SMILESOc1ccc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2c1
InChIInChI=1S/C17H9ClF4O2/c18-14-7-11(17(20,21)22)8-15(19)16(14)24-13-4-2-9-5-12(23)3-1-10(9)6-13/h1-8,23H
InChIKeyWRLGFXDVJLDHQI-UHFFFAOYSA-N
MW356.70 g/mol
LogP6.15
Rot. Bonds2

About 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol

6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol (PubChem CID 19978826) has the molecular formula C17H9ClF4O2 and a molecular weight of 356.70 g/mol. Its IUPAC name is 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol.

Molecular Properties

Compound Name6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
PubChem CID19978826
Molecular FormulaC17H9ClF4O2
Molecular Weight356.70 g/mol
Exact Mass356.02
IUPAC Name6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
SMILESOc1ccc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2c1
InChIInChI=1S/C17H9ClF4O2/c18-14-7-11(17(20,21)22)8-15(19)16(14)24-13-4-2-9-5-12(23)3-1-10(9)6-13/h1-8,23H
InChIKeyWRLGFXDVJLDHQI-UHFFFAOYSA-N
XLogP6.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 56.15
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-Chlorophenyl)-1,1,1-trifluoro-3-naphthalen-2-yloxypropan-2-ol
CID 162396939
1-Chloro-8-fluoro-6-(3-fluoro-4-methoxyphenyl)-2-naphthol
CID 11209422
1-Chloro-8-fluoro-6-(4-methoxyphenyl)-2-naphthol
CID 11289654
1-Chloro-6-(3-fluoro-4-methoxyphenyl)-2-naphthol
CID 11483494
2-(4-Benzyloxy-3-chloro-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 11710738
3-(2'-Chloro-4'-trifluoromethylphenoxy)-benzyl alcohol
CID 13090688
2-Chloro-1-ethoxy-4-[5-[4-fluoro-3-(4-fluorophenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 13475434
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
7-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 14372918

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The IUPAC name of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol (CID 19978826) is 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol.
What is the SMILES notation for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The canonical SMILES for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol is Oc1ccc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc2c1.
What is the InChIKey of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
The InChIKey is WRLGFXDVJLDHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF4O2/c18-14-7-11(17(20,21)22)8-15(19)16(14)24-13-4-2-9-5-12(23)3-1-10(9)6-13/h1-8,23H.
What are the key properties of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol?
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol has a molecular weight of 356.70 g/mol, XLogP of 6.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol is sourced from PubChem (CID 19978826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).