1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone

C18H18FNO — CID 158862520

IUPAC1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone
SMILESNC1CCc2cc(C(=O)Cc3ccc(F)cc3)ccc2C1
InChIInChI=1S/C18H18FNO/c19-16-6-1-12(2-7-16)9-18(21)15-4-3-14-11-17(20)8-5-13(14)10-15/h1-4,6-7,10,17H,5,8-9,11,20H2
InChIKeyJAVCIHIALBRGMH-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.07
Rot. Bonds3

About 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone

1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 158862520) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone
PubChem CID158862520
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone
SMILESNC1CCc2cc(C(=O)Cc3ccc(F)cc3)ccc2C1
InChIInChI=1S/C18H18FNO/c19-16-6-1-12(2-7-16)9-18(21)15-4-3-14-11-17(20)8-5-13(14)10-15/h1-4,6-7,10,17H,5,8-9,11,20H2
InChIKeyJAVCIHIALBRGMH-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone (CID 158862520) is 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone is NC1CCc2cc(C(=O)Cc3ccc(F)cc3)ccc2C1.
What is the InChIKey of 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is JAVCIHIALBRGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-16-6-1-12(2-7-16)9-18(21)15-4-3-14-11-17(20)8-5-13(14)10-15/h1-4,6-7,10,17H,5,8-9,11,20H2.
What are the key properties of 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone?
1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 283.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 158862520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).