2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide

C12H10F3NO4 — CID 1485435

IUPAC2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide
SMILESO=C(N[C@H]1C[C@H](O)c2cc3c(cc21)OCO3)C(F)(F)F
InChIInChI=1S/C12H10F3NO4/c13-12(14,15)11(18)16-7-3-8(17)6-2-10-9(1-5(6)7)19-4-20-10/h1-2,7-8,17H,3-4H2,(H,16,18)/t7-,8-/m0/s1
InChIKeyRSKSCGPPHLZLMQ-YUMQZZPRSA-N
MW289.21 g/mol
LogP1.57
Rot. Bonds1

About 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide

2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide (PubChem CID 1485435) has the molecular formula C12H10F3NO4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide
PubChem CID1485435
Molecular FormulaC12H10F3NO4
Molecular Weight289.21 g/mol
Exact Mass289.06
IUPAC Name2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide
SMILESO=C(N[C@H]1C[C@H](O)c2cc3c(cc21)OCO3)C(F)(F)F
InChIInChI=1S/C12H10F3NO4/c13-12(14,15)11(18)16-7-3-8(17)6-2-10-9(1-5(6)7)19-4-20-10/h1-2,7-8,17H,3-4H2,(H,16,18)/t7-,8-/m0/s1
InChIKeyRSKSCGPPHLZLMQ-YUMQZZPRSA-N
XLogP1.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(1S,3R)-3-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl]acetamide
CID 59423764
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 795667
N-(3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2-dimethylpropanamide
CID 168788131
(4R)-4-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-1H-isochromene-7-carboxylic acid
CID 167733372
3-(1,3-benzodioxol-5-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 2768186
8-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid
CID 14072855
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 62491984
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
dimethyl (10R)-4,6-dioxatetracyclo[7.4.0.03,7.010,13]trideca-1,3(7),8-triene-11,12-dicarboxylate
CID 70986389
2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide
CID 5076039
6-(2,4,5-trihydroxycyclohexyl)-1,3-benzodioxole-5-carboxamide
CID 91117664
N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide
CID 1472782

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide (CID 1485435) is 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide is O=C(N[C@H]1C[C@H](O)c2cc3c(cc21)OCO3)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide?
The InChIKey is RSKSCGPPHLZLMQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H10F3NO4/c13-12(14,15)11(18)16-7-3-8(17)6-2-10-9(1-5(6)7)19-4-20-10/h1-2,7-8,17H,3-4H2,(H,16,18)/t7-,8-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide?
2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide has a molecular weight of 289.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(5S,7S)-7-hydroxy-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-5-yl]acetamide is sourced from PubChem (CID 1485435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).