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

C10H17F2NO2 — CID 121261828

IUPAC1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](OC(C)C)C(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(2)15-9-4-5-13(8(3)14)6-10(9,11)12/h7,9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyVLRIWKFDBGASPM-VIFPVBQESA-N
MW221.25 g/mol
LogP1.67
Rot. Bonds2

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

1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone (PubChem CID 121261828) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
PubChem CID121261828
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](OC(C)C)C(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(2)15-9-4-5-13(8(3)14)6-10(9,11)12/h7,9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyVLRIWKFDBGASPM-VIFPVBQESA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone (CID 121261828) is 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone is CC(=O)N1CC[C@H](OC(C)C)C(F)(F)C1.
What is the InChIKey of 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
The InChIKey is VLRIWKFDBGASPM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(2)15-9-4-5-13(8(3)14)6-10(9,11)12/h7,9H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone?
1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone has a molecular weight of 221.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121261828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).