(1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol

C16H11F3O — CID 11311912

IUPAC(1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2cc(F)c(F)cc2C=C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H11F3O/c17-11-4-1-9(2-5-11)12-6-3-10-7-14(18)15(19)8-13(10)16(12)20/h1-8,12,16,20H/t12-,16-/m0/s1
InChIKeyWAEFYLFYLFGSJA-LRDDRELGSA-N
MW276.26 g/mol
LogP3.95
Rot. Bonds1

About (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol

(1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol (PubChem CID 11311912) has the molecular formula C16H11F3O and a molecular weight of 276.26 g/mol. Its IUPAC name is (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol
PubChem CID11311912
Molecular FormulaC16H11F3O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name(1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2cc(F)c(F)cc2C=C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H11F3O/c17-11-4-1-9(2-5-11)12-6-3-10-7-14(18)15(19)8-13(10)16(12)20/h1-8,12,16,20H/t12-,16-/m0/s1
InChIKeyWAEFYLFYLFGSJA-LRDDRELGSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol (CID 11311912) is (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol is O[C@@H]1c2cc(F)c(F)cc2C=C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol?
The InChIKey is WAEFYLFYLFGSJA-LRDDRELGSA-N. The full InChI is InChI=1S/C16H11F3O/c17-11-4-1-9(2-5-11)12-6-3-10-7-14(18)15(19)8-13(10)16(12)20/h1-8,12,16,20H/t12-,16-/m0/s1.
What are the key properties of (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol?
(1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol has a molecular weight of 276.26 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-6,7-difluoro-2-(4-fluorophenyl)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 11311912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).