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

C14H17F2NO3 — CID 103209205

IUPAC3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESO=C(CCOCC(F)F)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C14H17F2NO3/c15-12(16)8-20-6-5-13(19)17-14-10-4-2-1-3-9(10)7-11(14)18/h1-4,11-12,14,18H,5-8H2,(H,17,19)/t11-,14+/m0/s1
InChIKeyPRPSUNYYGHLUNF-SMDDNHRTSA-N
MW285.29 g/mol
LogP1.43
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (PubChem CID 103209205) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
PubChem CID103209205
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
SMILESO=C(CCOCC(F)F)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C14H17F2NO3/c15-12(16)8-20-6-5-13(19)17-14-10-4-2-1-3-9(10)7-11(14)18/h1-4,11-12,14,18H,5-8H2,(H,17,19)/t11-,14+/m0/s1
InChIKeyPRPSUNYYGHLUNF-SMDDNHRTSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.43
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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103816720
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
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
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
CID 111696445
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
5-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 107910801
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pent-4-ynamide
CID 114028589
5-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107221816
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide (CID 103209205) is 3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is O=C(CCOCC(F)F)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
The InChIKey is PRPSUNYYGHLUNF-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-12(16)8-20-6-5-13(19)17-14-10-4-2-1-3-9(10)7-11(14)18/h1-4,11-12,14,18H,5-8H2,(H,17,19)/t11-,14+/m0/s1.
What are the key properties of 3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide?
3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide has a molecular weight of 285.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide is sourced from PubChem (CID 103209205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).