5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol

C17H9ClF4O2 — CID 139615369

IUPAC5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
SMILESOc1cccc2c(Oc3c(F)cc(C(F)(F)F)cc3Cl)cccc12
InChIInChI=1S/C17H9ClF4O2/c18-12-7-9(17(20,21)22)8-13(19)16(12)24-15-6-2-3-10-11(15)4-1-5-14(10)23/h1-8,23H
InChIKeyPHVOEPMZNNDKID-UHFFFAOYSA-N
MW356.70 g/mol
LogP6.15
Rot. Bonds2

About 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol

5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol (PubChem CID 139615369) has the molecular formula C17H9ClF4O2 and a molecular weight of 356.70 g/mol. Its IUPAC name is 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol.

Molecular Properties

Compound Name5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
PubChem CID139615369
Molecular FormulaC17H9ClF4O2
Molecular Weight356.70 g/mol
Exact Mass356.02
IUPAC Name5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
SMILESOc1cccc2c(Oc3c(F)cc(C(F)(F)F)cc3Cl)cccc12
InChIInChI=1S/C17H9ClF4O2/c18-12-7-9(17(20,21)22)8-13(19)16(12)24-15-6-2-3-10-11(15)4-1-5-14(10)23/h1-8,23H
InChIKeyPHVOEPMZNNDKID-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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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol?
The IUPAC name of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol (CID 139615369) is 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol.
What is the SMILES notation for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol?
The canonical SMILES for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol is Oc1cccc2c(Oc3c(F)cc(C(F)(F)F)cc3Cl)cccc12.
What is the InChIKey of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol?
The InChIKey is PHVOEPMZNNDKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF4O2/c18-12-7-9(17(20,21)22)8-13(19)16(12)24-15-6-2-3-10-11(15)4-1-5-14(10)23/h1-8,23H.
What are the key properties of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol?
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-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 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol is sourced from PubChem (CID 139615369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).