(2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one

C15H13FO2S — CID 134967062

IUPAC(2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CC[C@@]1(F)[C@@H](O)c1cccs1
InChIInChI=1S/C15H13FO2S/c16-15(14(18)12-6-3-9-19-12)8-7-10-4-1-2-5-11(10)13(15)17/h1-6,9,14,18H,7-8H2/t14-,15-/m0/s1
InChIKeyBBZOEPIERDXGOO-GJZGRUSLSA-N
MW276.33 g/mol
LogP3.32
Rot. Bonds2

About (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one

(2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one (PubChem CID 134967062) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one
PubChem CID134967062
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name(2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CC[C@@]1(F)[C@@H](O)c1cccs1
InChIInChI=1S/C15H13FO2S/c16-15(14(18)12-6-3-9-19-12)8-7-10-4-1-2-5-11(10)13(15)17/h1-6,9,14,18H,7-8H2/t14-,15-/m0/s1
InChIKeyBBZOEPIERDXGOO-GJZGRUSLSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one (CID 134967062) is (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one is O=C1c2ccccc2CC[C@@]1(F)[C@@H](O)c1cccs1.
What is the InChIKey of (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one?
The InChIKey is BBZOEPIERDXGOO-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H13FO2S/c16-15(14(18)12-6-3-9-19-12)8-7-10-4-1-2-5-11(10)13(15)17/h1-6,9,14,18H,7-8H2/t14-,15-/m0/s1.
What are the key properties of (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one?
(2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one has a molecular weight of 276.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 134967062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).