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

C14H16F3NO3 — CID 103816720

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)8-21-6-5-12(20)18-13-10-4-2-1-3-9(10)7-11(13)19/h1-4,11,13,19H,5-8H2,(H,18,20)/t11-,13+/m1/s1
InChIKeyOINZSQCAKCZYPT-YPMHNXCESA-N
MW303.28 g/mol
LogP1.73
Rot. Bonds5

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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103816720) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103816720
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)8-21-6-5-12(20)18-13-10-4-2-1-3-9(10)7-11(13)19/h1-4,11,13,19H,5-8H2,(H,18,20)/t11-,13+/m1/s1
InChIKeyOINZSQCAKCZYPT-YPMHNXCESA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103209205
3,3,3-trifluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 103816914
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
CID 111696445
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
4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794
3-(tert-butylamino)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 107222190
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103816720) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is OINZSQCAKCZYPT-YPMHNXCESA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)8-21-6-5-12(20)18-13-10-4-2-1-3-9(10)7-11(13)19/h1-4,11,13,19H,5-8H2,(H,18,20)/t11-,13+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 303.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103816720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).