8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one

C13H16FNO2 — CID 170751874

IUPAC8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1c(F)cc(N)c2c1CCC(CCO)C2=O
InChIInChI=1S/C13H16FNO2/c1-7-9-3-2-8(4-5-16)13(17)12(9)11(15)6-10(7)14/h6,8,16H,2-5,15H2,1H3
InChIKeyLMZNBYFXBVEMEI-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.84
Rot. Bonds2

About 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one

8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 170751874) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID170751874
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1c(F)cc(N)c2c1CCC(CCO)C2=O
InChIInChI=1S/C13H16FNO2/c1-7-9-3-2-8(4-5-16)13(17)12(9)11(15)6-10(7)14/h6,8,16H,2-5,15H2,1H3
InChIKeyLMZNBYFXBVEMEI-UHFFFAOYSA-N
XLogP1.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 170751874) is 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one is Cc1c(F)cc(N)c2c1CCC(CCO)C2=O.
What is the InChIKey of 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is LMZNBYFXBVEMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-7-9-3-2-8(4-5-16)13(17)12(9)11(15)6-10(7)14/h6,8,16H,2-5,15H2,1H3.
What are the key properties of 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one?
8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 237.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-fluoro-2-(2-hydroxyethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 170751874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).