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

C12H12F3NO2 — CID 103816914

IUPAC3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESO=C(CC(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)6-10(18)16-11-8-4-2-1-3-7(8)5-9(11)17/h1-4,9,11,17H,5-6H2,(H,16,18)/t9-,11+/m0/s1
InChIKeyIMEJGQKCJKFNNQ-GXSJLCMTSA-N
MW259.23 g/mol
LogP1.71
Rot. Bonds2

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

3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 103816914) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID103816914
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESO=C(CC(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)6-10(18)16-11-8-4-2-1-3-7(8)5-9(11)17/h1-4,9,11,17H,5-6H2,(H,16,18)/t9-,11+/m0/s1
InChIKeyIMEJGQKCJKFNNQ-GXSJLCMTSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103816720
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 107222190
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
2-cyclobutyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111696386
4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (CID 103816914) is 3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is O=C(CC(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is IMEJGQKCJKFNNQ-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)6-10(18)16-11-8-4-2-1-3-7(8)5-9(11)17/h1-4,9,11,17H,5-6H2,(H,16,18)/t9-,11+/m0/s1.
What are the key properties of 3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 259.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 103816914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).