N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide

C11H12FNO — CID 15353677

IUPACN-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CCc2cc(F)ccc21
InChIInChI=1S/C11H12FNO/c1-7(14)13-11-5-2-8-6-9(12)3-4-10(8)11/h3-4,6,11H,2,5H2,1H3,(H,13,14)/t11-/m1/s1
InChIKeyPXELIROYYBOOFO-LLVKDONJSA-N
MW193.22 g/mol
LogP1.95
Rot. Bonds1

About N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide

N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 15353677) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID15353677
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC NameN-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CCc2cc(F)ccc21
InChIInChI=1S/C11H12FNO/c1-7(14)13-11-5-2-8-6-9(12)3-4-10(8)11/h3-4,6,11H,2,5H2,1H3,(H,13,14)/t11-/m1/s1
InChIKeyPXELIROYYBOOFO-LLVKDONJSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide (CID 15353677) is N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)N[C@@H]1CCc2cc(F)ccc21.
What is the InChIKey of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is PXELIROYYBOOFO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7(14)13-11-5-2-8-6-9(12)3-4-10(8)11/h3-4,6,11H,2,5H2,1H3,(H,13,14)/t11-/m1/s1.
What are the key properties of N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 193.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 15353677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).