4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one

C11H12FNO — CID 82505065

IUPAC4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESNCC1CCC(=O)c2cc(F)ccc21
InChIInChI=1S/C11H12FNO/c12-8-2-3-9-7(6-13)1-4-11(14)10(9)5-8/h2-3,5,7H,1,4,6,13H2
InChIKeyZUVPPAFFVLACEP-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.84
Rot. Bonds1

About 4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one

4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 82505065) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one
PubChem CID82505065
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one
SMILESNCC1CCC(=O)c2cc(F)ccc21
InChIInChI=1S/C11H12FNO/c12-8-2-3-9-7(6-13)1-4-11(14)10(9)5-8/h2-3,5,7H,1,4,6,13H2
InChIKeyZUVPPAFFVLACEP-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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Related Compounds

(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
4-(aminomethyl)-5-fluoro-3,4-dihydro-2H-naphthalen-1-one
CID 82505066
6-fluoro-3-(hydroxymethyl)-2,3-dihydroinden-1-one
CID 174821634
4-(aminomethyl)-2-ethyl-7-fluoro-3,4-dihydroisoquinolin-1-one
CID 82127868
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
4-ethyl-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 82125678
4,7-diamino-3,4-dihydro-2H-naphthalen-1-one
CID 130040403
4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 130040409
(3S)-3-(aminomethyl)-6-fluoro-2-methyl-3H-isoindol-1-one
CID 125454965
(4S)-4-(2,4-difluorophenyl)-2-methylcyclohex-2-en-1-one
CID 950685
3-(aminomethyl)-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 84619249
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241121

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one (CID 82505065) is 4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one is NCC1CCC(=O)c2cc(F)ccc21.
What is the InChIKey of 4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZUVPPAFFVLACEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-8-2-3-9-7(6-13)1-4-11(14)10(9)5-8/h2-3,5,7H,1,4,6,13H2.
What are the key properties of 4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one?
4-(aminomethyl)-7-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)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 82505065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).