2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide

C12H9F4NO2 — CID 59846309

IUPAC2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
SMILESO=C1CC[C@@H](NC(=O)C(F)(F)F)c2cc(F)ccc21
InChIInChI=1S/C12H9F4NO2/c13-6-1-2-7-8(5-6)9(3-4-10(7)18)17-11(19)12(14,15)16/h1-2,5,9H,3-4H2,(H,17,19)/t9-/m1/s1
InChIKeyLJJDKEMSPLGAOV-SECBINFHSA-N
MW275.20 g/mol
LogP2.52
Rot. Bonds1

About 2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide

2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide (PubChem CID 59846309) has the molecular formula C12H9F4NO2 and a molecular weight of 275.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
PubChem CID59846309
Molecular FormulaC12H9F4NO2
Molecular Weight275.20 g/mol
Exact Mass275.06
IUPAC Name2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
SMILESO=C1CC[C@@H](NC(=O)C(F)(F)F)c2cc(F)ccc21
InChIInChI=1S/C12H9F4NO2/c13-6-1-2-7-8(5-6)9(3-4-10(7)18)17-11(19)12(14,15)16/h1-2,5,9H,3-4H2,(H,17,19)/t9-/m1/s1
InChIKeyLJJDKEMSPLGAOV-SECBINFHSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 86686673
2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 86686697
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
N-(10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-2,2,2-trifluoroacetamide
CID 634893
N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide
CID 58686975
2,2,2-trifluoro-N-[(7S)-1,2,3-trimethoxy-9-oxo-10-[(2,2,2-trifluoroacetyl)amino]-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
CID 15708491
2,2,3,3-tetrafluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 103732268
2-amino-3,3,3-trifluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpropanamide
CID 79791424
2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide
CID 14390153
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
2,2,2-trichloro-N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)acetamide
CID 13037010
N-[(1S)-5,7-difluoro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide
CID 22855167

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide (CID 59846309) is 2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide is O=C1CC[C@@H](NC(=O)C(F)(F)F)c2cc(F)ccc21.
What is the InChIKey of 2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
The InChIKey is LJJDKEMSPLGAOV-SECBINFHSA-N. The full InChI is InChI=1S/C12H9F4NO2/c13-6-1-2-7-8(5-6)9(3-4-10(7)18)17-11(19)12(14,15)16/h1-2,5,9H,3-4H2,(H,17,19)/t9-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide?
2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide has a molecular weight of 275.20 g/mol, XLogP of 2.52, 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-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide is sourced from PubChem (CID 59846309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).