1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone

C10H17F2NO3 — CID 121261763

IUPAC1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
SMILESCC(C)O[C@@H]1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C10H17F2NO3/c1-7(2)16-8-3-4-13(9(15)5-14)6-10(8,11)12/h7-8,14H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyBBBWHYSSUQDCSD-MRVPVSSYSA-N
MW237.25 g/mol
LogP0.64
Rot. Bonds3

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

1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone (PubChem CID 121261763) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
PubChem CID121261763
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
SMILESCC(C)O[C@@H]1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C10H17F2NO3/c1-7(2)16-8-3-4-13(9(15)5-14)6-10(8,11)12/h7-8,14H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyBBBWHYSSUQDCSD-MRVPVSSYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone (CID 121261763) is 1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone is CC(C)O[C@@H]1CCN(C(=O)CO)CC1(F)F.
What is the InChIKey of 1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone?
The InChIKey is BBBWHYSSUQDCSD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-7(2)16-8-3-4-13(9(15)5-14)6-10(8,11)12/h7-8,14H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone?
1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone has a molecular weight of 237.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 121261763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).