1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone

C13H16FNO — CID 117315976

IUPAC1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H16FNO/c1-15-8-13(16)11-6-9-4-2-3-5-10(9)7-12(11)14/h6-7,15H,2-5,8H2,1H3
InChIKeyNQWHPVCGMWMELG-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.11
Rot. Bonds3

About 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone

1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone (PubChem CID 117315976) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
PubChem CID117315976
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc2c(cc1F)CCCC2
InChIInChI=1S/C13H16FNO/c1-15-8-13(16)11-6-9-4-2-3-5-10(9)7-12(11)14/h6-7,15H,2-5,8H2,1H3
InChIKeyNQWHPVCGMWMELG-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone (CID 117315976) is 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone is CNCC(=O)c1cc2c(cc1F)CCCC2.
What is the InChIKey of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone?
The InChIKey is NQWHPVCGMWMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-15-8-13(16)11-6-9-4-2-3-5-10(9)7-12(11)14/h6-7,15H,2-5,8H2,1H3.
What are the key properties of 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone?
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone has a molecular weight of 221.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 117315976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).