8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one

C11H11FO2 — CID 130038645

IUPAC8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(CO)cc(F)c21
InChIInChI=1S/C11H11FO2/c12-9-5-7(6-13)4-8-2-1-3-10(14)11(8)9/h4-5,13H,1-3,6H2
InChIKeyJWFLXBIXJWKFCD-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.84
Rot. Bonds1

About 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one

8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 130038645) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID130038645
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(CO)cc(F)c21
InChIInChI=1S/C11H11FO2/c12-9-5-7(6-13)4-8-2-1-3-10(14)11(8)9/h4-5,13H,1-3,6H2
InChIKeyJWFLXBIXJWKFCD-UHFFFAOYSA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 130038645) is 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(CO)cc(F)c21.
What is the InChIKey of 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JWFLXBIXJWKFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-9-5-7(6-13)4-8-2-1-3-10(14)11(8)9/h4-5,13H,1-3,6H2.
What are the key properties of 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one?
8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 194.20 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 130038645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).