(2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one

C11H19F2NO4 — CID 147124604

IUPAC(2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one
SMILESCC(C)OC1CCN(C(=O)[C@@H](O)CO)CC1(F)F
InChIInChI=1S/C11H19F2NO4/c1-7(2)18-9-3-4-14(6-11(9,12)13)10(17)8(16)5-15/h7-9,15-16H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyBPAMGNSRNCAKCM-IENPIDJESA-N
MW267.27 g/mol
LogP0.00
Rot. Bonds4

About (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one

(2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one (PubChem CID 147124604) has the molecular formula C11H19F2NO4 and a molecular weight of 267.27 g/mol. Its IUPAC name is (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one
PubChem CID147124604
Molecular FormulaC11H19F2NO4
Molecular Weight267.27 g/mol
Exact Mass267.13
IUPAC Name(2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one
SMILESCC(C)OC1CCN(C(=O)[C@@H](O)CO)CC1(F)F
InChIInChI=1S/C11H19F2NO4/c1-7(2)18-9-3-4-14(6-11(9,12)13)10(17)8(16)5-15/h7-9,15-16H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyBPAMGNSRNCAKCM-IENPIDJESA-N
XLogP0.00
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one with MolForge

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Related Compounds

(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267294
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267303
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 68307518
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 68378070
(2R)-1-(4-ethoxypiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 68378157
1-(3,3-Difluoro-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone
CID 118551804
1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 118552153
1-(3,3-Difluoro-4-methoxypiperidin-1-yl)-2-hydroxyethanone
CID 118553700
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 118569745
(2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one
CID 121246748
(2S)-1-[(3R,4R)-3-fluoro-4-methoxypiperidin-1-yl]-2-hydroxypropan-1-one
CID 121246754
(2S)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one
CID 121246760

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one?
The IUPAC name of (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one (CID 147124604) is (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one.
What is the SMILES notation for (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one?
The canonical SMILES for (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one is CC(C)OC1CCN(C(=O)[C@@H](O)CO)CC1(F)F.
What is the InChIKey of (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one?
The InChIKey is BPAMGNSRNCAKCM-IENPIDJESA-N. The full InChI is InChI=1S/C11H19F2NO4/c1-7(2)18-9-3-4-14(6-11(9,12)13)10(17)8(16)5-15/h7-9,15-16H,3-6H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one?
(2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one has a molecular weight of 267.27 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)-2,3-dihydroxypropan-1-one is sourced from PubChem (CID 147124604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).