6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one

C10H9FO2 — CID 131343881

IUPAC6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(ccc(F)c2O)C1
InChIInChI=1S/C10H9FO2/c11-9-4-1-6-5-7(12)2-3-8(6)10(9)13/h1,4,13H,2-3,5H2
InChIKeyYGYQOKBHOZYKEA-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.59
Rot. Bonds

About 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one

6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 131343881) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID131343881
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(ccc(F)c2O)C1
InChIInChI=1S/C10H9FO2/c11-9-4-1-6-5-7(12)2-3-8(6)10(9)13/h1,4,13H,2-3,5H2
InChIKeyYGYQOKBHOZYKEA-UHFFFAOYSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3,4-dihydro-1H-naphthalen-2-one
CID 4065216
8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one
CID 131343889
7-chloro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131542137
2,4-dihydro-1H-picen-3-one
CID 91098928
7-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 84657899
5-bromo-8-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131392956
5,6-difluoro-1,3-dihydroinden-2-one
CID 53408037
7-fluoro-3,4-dihydro-2H-chromen-8-ol
CID 10630931
8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one
CID 131320491
3-fluoro-4-(2-fluoro-4-hydroxyphenyl)cyclohex-3-en-1-one
CID 123873676
2,4-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
CID 19699282
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 22102252

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one (CID 131343881) is 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2c(ccc(F)c2O)C1.
What is the InChIKey of 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is YGYQOKBHOZYKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-9-4-1-6-5-7(12)2-3-8(6)10(9)13/h1,4,13H,2-3,5H2.
What are the key properties of 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 180.18 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 131343881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).