2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol

C12H15FO — CID 112546969

IUPAC2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
SMILESOCCC1CCc2cccc(F)c2C1
InChIInChI=1S/C12H15FO/c13-12-3-1-2-10-5-4-9(6-7-14)8-11(10)12/h1-3,9,14H,4-8H2
InChIKeyQHTRANIVSLNLCH-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.31
Rot. Bonds2

About 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol

2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 112546969) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
PubChem CID112546969
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
SMILESOCCC1CCc2cccc(F)c2C1
InChIInChI=1S/C12H15FO/c13-12-3-1-2-10-5-4-9(6-7-14)8-11(10)12/h1-3,9,14H,4-8H2
InChIKeyQHTRANIVSLNLCH-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol (CID 112546969) is 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol is OCCC1CCc2cccc(F)c2C1.
What is the InChIKey of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is QHTRANIVSLNLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c13-12-3-1-2-10-5-4-9(6-7-14)8-11(10)12/h1-3,9,14H,4-8H2.
What are the key properties of 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol?
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 194.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 112546969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).