4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one

C11H12FNO — CID 82505066

IUPAC4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESNCC1CCC(=O)c2cccc(F)c21
InChIInChI=1S/C11H12FNO/c12-9-3-1-2-8-10(14)5-4-7(6-13)11(8)9/h1-3,7H,4-6,13H2
InChIKeyRBWOETZRISKYNN-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.84
Rot. Bonds1

About 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one

4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 82505066) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
PubChem CID82505066
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESNCC1CCC(=O)c2cccc(F)c21
InChIInChI=1S/C11H12FNO/c12-9-3-1-2-8-10(14)5-4-7(6-13)11(8)9/h1-3,7H,4-6,13H2
InChIKeyRBWOETZRISKYNN-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one (CID 82505066) is 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one is NCC1CCC(=O)c2cccc(F)c21.
What is the InChIKey of 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RBWOETZRISKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-9-3-1-2-8-10(14)5-4-7(6-13)11(8)9/h1-3,7H,4-6,13H2.
What are the key properties of 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one?
4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 193.22 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 4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 82505066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).