ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol

C18H15F3O — CID 143846486

IUPACethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol
SMILESCC.Oc1ccc2cc(-c3cc(F)c(F)c(F)c3)ccc2c1
InChIInChI=1S/C16H9F3O.C2H6/c17-14-7-12(8-15(18)16(14)19)10-1-2-11-6-13(20)4-3-9(11)5-10;1-2/h1-8,20H;1-2H3
InChIKeyDBIZNJKMHKNBMA-UHFFFAOYSA-N
MW304.31 g/mol
LogP5.66
Rot. Bonds1

About ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol

ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol (PubChem CID 143846486) has the molecular formula C18H15F3O and a molecular weight of 304.31 g/mol. Its IUPAC name is ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol.

Molecular Properties

Compound Nameethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol
PubChem CID143846486
Molecular FormulaC18H15F3O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Nameethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol
SMILESCC.Oc1ccc2cc(-c3cc(F)c(F)c(F)c3)ccc2c1
InChIInChI=1S/C16H9F3O.C2H6/c17-14-7-12(8-15(18)16(14)19)10-1-2-11-6-13(20)4-3-9(11)5-10;1-2/h1-8,20H;1-2H3
InChIKeyDBIZNJKMHKNBMA-UHFFFAOYSA-N
XLogP5.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol?
The IUPAC name of ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol (CID 143846486) is ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol.
What is the SMILES notation for ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol?
The canonical SMILES for ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol is CC.Oc1ccc2cc(-c3cc(F)c(F)c(F)c3)ccc2c1.
What is the InChIKey of ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol?
The InChIKey is DBIZNJKMHKNBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3O.C2H6/c17-14-7-12(8-15(18)16(14)19)10-1-2-11-6-13(20)4-3-9(11)5-10;1-2/h1-8,20H;1-2H3.
What are the key properties of ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol?
ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol has a molecular weight of 304.31 g/mol, XLogP of 5.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(3,4,5-trifluorophenyl)naphthalen-2-ol is sourced from PubChem (CID 143846486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).