2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C12H11F4NO2 — CID 86686697

IUPAC2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(N[C@H]1CC[C@@H](O)c2ccc(F)cc21)C(F)(F)F
InChIInChI=1S/C12H11F4NO2/c13-6-1-2-7-8(5-6)9(3-4-10(7)18)17-11(19)12(14,15)16/h1-2,5,9-10,18H,3-4H2,(H,17,19)/t9-,10+/m0/s1
InChIKeyIAVJGJFUPVFGMZ-VHSXEESVSA-N
MW277.22 g/mol
LogP2.37
Rot. Bonds1

About 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 86686697) has the molecular formula C12H11F4NO2 and a molecular weight of 277.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID86686697
Molecular FormulaC12H11F4NO2
Molecular Weight277.22 g/mol
Exact Mass277.07
IUPAC Name2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(N[C@H]1CC[C@@H](O)c2ccc(F)cc21)C(F)(F)F
InChIInChI=1S/C12H11F4NO2/c13-6-1-2-7-8(5-6)9(3-4-10(7)18)17-11(19)12(14,15)16/h1-2,5,9-10,18H,3-4H2,(H,17,19)/t9-,10+/m0/s1
InChIKeyIAVJGJFUPVFGMZ-VHSXEESVSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(1R)-7-fluoro-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 59846309
2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide
CID 59423764
2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide
CID 1485435
2,2,3,3-tetrafluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 103732268
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
2-amino-3,3,3-trifluoro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpropanamide
CID 79791424
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
tert-butyl N-[(1S,4S)-4-hydroxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 146389218
2,2,2-trifluoro-N-[(1S)-4-oxo-2,3-dihydro-1H-naphthalen-1-yl]acetamide
CID 86686673
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
N-[(1S)-5,7-difluoro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide
CID 22855167
N-(2-bromo-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide
CID 58686975

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 86686697) is 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(N[C@H]1CC[C@@H](O)c2ccc(F)cc21)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is IAVJGJFUPVFGMZ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H11F4NO2/c13-6-1-2-7-8(5-6)9(3-4-10(7)18)17-11(19)12(14,15)16/h1-2,5,9-10,18H,3-4H2,(H,17,19)/t9-,10+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 277.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S,4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 86686697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).