6-fluoro-4-hydroxy-1H-naphthalen-2-one

C10H7FO2 — CID 143309984

IUPAC6-fluoro-4-hydroxy-1H-naphthalen-2-one
SMILESO=C1C=C(O)c2cc(F)ccc2C1
InChIInChI=1S/C10H7FO2/c11-7-2-1-6-3-8(12)5-10(13)9(6)4-7/h1-2,4-5,13H,3H2
InChIKeyDNCLXUXOXLIJKR-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.85
Rot. Bonds

About 6-fluoro-4-hydroxy-1H-naphthalen-2-one

6-fluoro-4-hydroxy-1H-naphthalen-2-one (PubChem CID 143309984) has the molecular formula C10H7FO2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 6-fluoro-4-hydroxy-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-fluoro-4-hydroxy-1H-naphthalen-2-one
PubChem CID143309984
Molecular FormulaC10H7FO2
Molecular Weight178.16 g/mol
Exact Mass178.04
IUPAC Name6-fluoro-4-hydroxy-1H-naphthalen-2-one
SMILESO=C1C=C(O)c2cc(F)ccc2C1
InChIInChI=1S/C10H7FO2/c11-7-2-1-6-3-8(12)5-10(13)9(6)4-7/h1-2,4-5,13H,3H2
InChIKeyDNCLXUXOXLIJKR-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-hydroxy-1H-naphthalen-2-one?
The IUPAC name of 6-fluoro-4-hydroxy-1H-naphthalen-2-one (CID 143309984) is 6-fluoro-4-hydroxy-1H-naphthalen-2-one.
What is the SMILES notation for 6-fluoro-4-hydroxy-1H-naphthalen-2-one?
The canonical SMILES for 6-fluoro-4-hydroxy-1H-naphthalen-2-one is O=C1C=C(O)c2cc(F)ccc2C1.
What is the InChIKey of 6-fluoro-4-hydroxy-1H-naphthalen-2-one?
The InChIKey is DNCLXUXOXLIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO2/c11-7-2-1-6-3-8(12)5-10(13)9(6)4-7/h1-2,4-5,13H,3H2.
What are the key properties of 6-fluoro-4-hydroxy-1H-naphthalen-2-one?
6-fluoro-4-hydroxy-1H-naphthalen-2-one has a molecular weight of 178.16 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-hydroxy-1H-naphthalen-2-one is sourced from PubChem (CID 143309984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).