2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide

C12H10F3NO2 — CID 86686673

IUPAC2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
SMILESO=C1CC[C@H](NC(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)11(18)16-9-5-6-10(17)8-4-2-1-3-7(8)9/h1-4,9H,5-6H2,(H,16,18)/t9-/m0/s1
InChIKeyKDYIVXBRLQJKII-VIFPVBQESA-N
MW257.21 g/mol
LogP2.38
Rot. Bonds1

About 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide

2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide (PubChem CID 86686673) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
PubChem CID86686673
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
SMILESO=C1CC[C@H](NC(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)11(18)16-9-5-6-10(17)8-4-2-1-3-7(8)9/h1-4,9H,5-6H2,(H,16,18)/t9-/m0/s1
InChIKeyKDYIVXBRLQJKII-VIFPVBQESA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 59846309
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 11425044
2,2,2-trifluoro-N-[(2R)-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 177402661
N-(2-chloro-3-oxo-1,2-dihydroinden-1-yl)-2,2,2-trifluoroacetamide
CID 14638800
N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide
CID 58686975
(1S)-4-oxo-2,3-dihydro-1H-naphthalene-1-carbonyl chloride
CID 129384217
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
N-[(1S)-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 93234150
but-1-yne;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoro-N-prop-2-ynylacetamide
CID 160692005
2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 86686697
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide (CID 86686673) is 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide is O=C1CC[C@H](NC(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The InChIKey is KDYIVXBRLQJKII-VIFPVBQESA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-12(14,15)11(18)16-9-5-6-10(17)8-4-2-1-3-7(8)9/h1-4,9H,5-6H2,(H,16,18)/t9-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide has a molecular weight of 257.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide is sourced from PubChem (CID 86686673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).