6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

C17H13ClF4O2 — CID 14369230

IUPAC6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc21
InChIInChI=1S/C17H13ClF4O2/c18-13-7-10(17(20,21)22)8-14(19)16(13)24-11-4-5-12-9(6-11)2-1-3-15(12)23/h4-8,15,23H,1-3H2
InChIKeyKYUOZEMRAZMIRB-UHFFFAOYSA-N
MW360.73 g/mol
LogP5.66
Rot. Bonds2

About 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 14369230) has the molecular formula C17H13ClF4O2 and a molecular weight of 360.73 g/mol. Its IUPAC name is 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID14369230
Molecular FormulaC17H13ClF4O2
Molecular Weight360.73 g/mol
Exact Mass360.05
IUPAC Name6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc21
InChIInChI=1S/C17H13ClF4O2/c18-13-7-10(17(20,21)22)8-14(19)16(13)24-11-4-5-12-9(6-11)2-1-3-15(12)23/h4-8,15,23H,1-3H2
InChIKeyKYUOZEMRAZMIRB-UHFFFAOYSA-N
XLogP5.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.73
LogP ≤ 55.66
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
{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}methanol
CID 887998
{3-Chloro-4-[(2-fluorobenzyl)oxy]phenyl}methanol
CID 888062
(3-Chloro-4-((4-fluorobenzyl)oxy)phenyl)methanol
CID 896783
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-[[7-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-naphthalenyl]oxy]propanoic acid
CID 13630687
5-[2-Chloro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 14370277
7-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 14372918
6-[2,6-Dichloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 14520297
6-[2-Chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-ol
CID 14520298

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 14369230) is 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2cc(Oc3c(F)cc(C(F)(F)F)cc3Cl)ccc21.
What is the InChIKey of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is KYUOZEMRAZMIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4O2/c18-13-7-10(17(20,21)22)8-14(19)16(13)24-11-4-5-12-9(6-11)2-1-3-15(12)23/h4-8,15,23H,1-3H2.
What are the key properties of 6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 360.73 g/mol, XLogP of 5.66, 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]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 14369230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).