4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide

C13H14F3NO2 — CID 75391479

IUPAC4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)6-5-11(19)17-12-9-4-2-1-3-8(9)7-10(12)18/h1-4,10,12,18H,5-7H2,(H,17,19)/t10-,12+/m0/s1
InChIKeyZOOHLHJGTRAGKH-CMPLNLGQSA-N
MW273.25 g/mol
LogP2.10
Rot. Bonds3

About 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide

4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide (PubChem CID 75391479) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
PubChem CID75391479
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)6-5-11(19)17-12-9-4-2-1-3-8(9)7-10(12)18/h1-4,10,12,18H,5-7H2,(H,17,19)/t10-,12+/m0/s1
InChIKeyZOOHLHJGTRAGKH-CMPLNLGQSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide with MolForge

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Related Compounds

N*4*-Hydroxy-N*1*-(2-hydroxy-indan-1-yl)-2-isobutyl-succinamide
CID 9797144
1-(S)-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2-(R)-indanol
CID 10177403
(2R)-N'-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-methylpropyl)butanediamide
CID 44341538
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
1-(2-hydroxypropylamino)-2,3-dihydro-1H-inden-2-ol
CID 244373
1-(R)-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2-(S)-indanol
CID 9885901
(2R,4S)-2-Benzyl-4-hydroxy-5-phenyl-pentanoic acid ((1S,2R)-2-hydroxy-indan-1-yl)-amide
CID 16052381
tert-butyl N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11021276
tert-Butyl ((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 17998891
prop-2-ynyl N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 102177606
Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-alpha-(phenylmethyl)-, (aR,gS)-
CID 5480787

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide (CID 75391479) is 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide is O=C(CCC(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide?
The InChIKey is ZOOHLHJGTRAGKH-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)6-5-11(19)17-12-9-4-2-1-3-8(9)7-10(12)18/h1-4,10,12,18H,5-7H2,(H,17,19)/t10-,12+/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide?
4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide has a molecular weight of 273.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide is sourced from PubChem (CID 75391479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).