2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone

C10H16F3NO2 — CID 121261792

IUPAC2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
SMILESCC(C)O[C@H]1CCN(C(=O)C(F)F)C[C@H]1F
InChIInChI=1S/C10H16F3NO2/c1-6(2)16-8-3-4-14(5-7(8)11)10(15)9(12)13/h6-9H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyCEEPAZVPPWFGSH-SFYZADRCSA-N
MW239.24 g/mol
LogP1.62
Rot. Bonds3

About 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone

2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone (PubChem CID 121261792) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
PubChem CID121261792
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
SMILESCC(C)O[C@H]1CCN(C(=O)C(F)F)C[C@H]1F
InChIInChI=1S/C10H16F3NO2/c1-6(2)16-8-3-4-14(5-7(8)11)10(15)9(12)13/h6-9H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyCEEPAZVPPWFGSH-SFYZADRCSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methoxypiperidin-1-yl)ethan-1-one
CID 134827899
2-(4-methoxypiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78898220
1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
Tert-Butyl 4-(2,2,2-trifluoroethoxy)-1-piperidinecarboxylate
CID 21906044
4-(Difluoromethoxy)piperidine-1-carbaldehyde
CID 57791768
1-[4-(2,2,2-Trifluoro-1-methoxyethyl)piperidin-1-yl]ethanone
CID 58450278
2,2,2-Trifluoro-1-(4-methoxypiperidin-1-yl)ethanone
CID 58896716
1-(4-Ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62726538
1-(2-Ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
CID 62733177
1-[4-(2,2,2-Trifluoroethoxy)piperidin-1-yl]ethanone
CID 68211716
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267294

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone (CID 121261792) is 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone is CC(C)O[C@H]1CCN(C(=O)C(F)F)C[C@H]1F.
What is the InChIKey of 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
The InChIKey is CEEPAZVPPWFGSH-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-6(2)16-8-3-4-14(5-7(8)11)10(15)9(12)13/h6-9H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121261792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).