N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide

C11H12FNO2 — CID 134967761

IUPACN-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2c(F)cccc2[C@H]1O
InChIInChI=1S/C11H12FNO2/c1-6(14)13-10-5-8-7(11(10)15)3-2-4-9(8)12/h2-4,10-11,15H,5H2,1H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyIXZVFRVDDUSXNY-GHMZBOCLSA-N
MW209.22 g/mol
LogP0.92
Rot. Bonds1

About N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide

N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 134967761) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID134967761
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC NameN-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N[C@@H]1Cc2c(F)cccc2[C@H]1O
InChIInChI=1S/C11H12FNO2/c1-6(14)13-10-5-8-7(11(10)15)3-2-4-9(8)12/h2-4,10-11,15H,5H2,1H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyIXZVFRVDDUSXNY-GHMZBOCLSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 10898857
rac-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11030622
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 22874977
2-Aminoindan-1-ol
CID 85794
1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, monohydrochloride
CID 54552
rac-(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-ol
CID 11008081
N-Acetylnorephedrine
CID 541809
(1S,2S)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 11137330
Acetamide, N-((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)-
CID 157987
rac-tert-butyl N-((1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 165885854
2-fluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 10932396
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide
CID 134893613

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide (CID 134967761) is N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide is CC(=O)N[C@@H]1Cc2c(F)cccc2[C@H]1O.
What is the InChIKey of N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is IXZVFRVDDUSXNY-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-6(14)13-10-5-8-7(11(10)15)3-2-4-9(8)12/h2-4,10-11,15H,5H2,1H3,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide?
N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 209.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 134967761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).