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

C11H10F3NO2 — CID 11665946

IUPAC2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-9-7-4-2-1-3-6(7)5-8(9)16/h1-4,8-9,16H,5H2,(H,15,17)/t8-,9+/m1/s1
InChIKeyVJIMXAZLWUHVRE-BDAKNGLRSA-N
MW245.20 g/mol
LogP1.32
Rot. Bonds1

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

2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 11665946) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID11665946
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-9-7-4-2-1-3-6(7)5-8(9)16/h1-4,8-9,16H,5H2,(H,15,17)/t8-,9+/m1/s1
InChIKeyVJIMXAZLWUHVRE-BDAKNGLRSA-N
XLogP1.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
CID 107222211
2-amino-3,3,3-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
CID 107221790
3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103816914
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 75617082
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103816720

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide (CID 11665946) is 2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is VJIMXAZLWUHVRE-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-9-7-4-2-1-3-6(7)5-8(9)16/h1-4,8-9,16H,5H2,(H,15,17)/t8-,9+/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide?
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 245.20 g/mol, XLogP of 1.32, 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,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 11665946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).