(2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one

C13H13F2NO2 — CID 164640611

IUPAC(2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one
SMILESO=C1CCN(C(=O)C(F)F)[C@H](c2ccccc2)C1
InChIInChI=1S/C13H13F2NO2/c14-12(15)13(18)16-7-6-10(17)8-11(16)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2/t11-/m0/s1
InChIKeyHOVYWFRYJKVIMF-NSHDSACASA-N
MW253.25 g/mol
LogP2.18
Rot. Bonds2

About (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one

(2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one (PubChem CID 164640611) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one.

Molecular Properties

Compound Name(2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one
PubChem CID164640611
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name(2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one
SMILESO=C1CCN(C(=O)C(F)F)[C@H](c2ccccc2)C1
InChIInChI=1S/C13H13F2NO2/c14-12(15)13(18)16-7-6-10(17)8-11(16)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2/t11-/m0/s1
InChIKeyHOVYWFRYJKVIMF-NSHDSACASA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzoyl-4-piperidone
CID 90583
1-Benzylpiperidine-2,4-dione
CID 22495541
N,N-dipropyl-4-(2,2,2-trifluoroacetyl)benzamide
CID 44438403
1-Methyl-2-phenylpiperidin-4-one
CID 604973
1-Methyl-2,6-diphenylpiperidin-4-one
CID 280708
1-Benzylpiperidine-2,3-dione
CID 13857550
2-Phenylpiperidin-4-one
CID 18687529
1-Boc-2-phenyl-piperidin-4-one
CID 44558601
9-[4-(Trifluoromethyl)benzoyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 134791872
2-(4-Fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 2915754
N-benzyl-N-methyl-3-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]propanamide
CID 23723871
N-[1-(2-fluorobenzyl)-3-piperidinyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 23723922

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one?
The IUPAC name of (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one (CID 164640611) is (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one.
What is the SMILES notation for (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one?
The canonical SMILES for (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one is O=C1CCN(C(=O)C(F)F)[C@H](c2ccccc2)C1.
What is the InChIKey of (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one?
The InChIKey is HOVYWFRYJKVIMF-NSHDSACASA-N. The full InChI is InChI=1S/C13H13F2NO2/c14-12(15)13(18)16-7-6-10(17)8-11(16)9-4-2-1-3-5-9/h1-5,11-12H,6-8H2/t11-/m0/s1.
What are the key properties of (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one?
(2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one has a molecular weight of 253.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-difluoroacetyl)-2-phenylpiperidin-4-one is sourced from PubChem (CID 164640611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).