2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one

C9H15F2NO — CID 59475901

IUPAC2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(C(=O)C(C)(F)F)C1
InChIInChI=1S/C9H15F2NO/c1-7-4-3-5-12(6-7)8(13)9(2,10)11/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyYMCKZGIGJSKFGQ-SSDOTTSWSA-N
MW191.22 g/mol
LogP1.90
Rot. Bonds1

About 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one

2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 59475901) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID59475901
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(C(=O)C(C)(F)F)C1
InChIInChI=1S/C9H15F2NO/c1-7-4-3-5-12(6-7)8(13)9(2,10)11/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyYMCKZGIGJSKFGQ-SSDOTTSWSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3r)-1-Acetyl-3-Methylpiperidine
CID 449120
Ethanone, 1-(3-methyl-1-piperidinyl)-
CID 107304
1-(3-Methylpiperidin-1-yl)pentan-1-one
CID 303144
1-(4-Fluoro-4-methylpiperidin-1-yl)ethanone
CID 67570230
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
1-Methyl-5-(trifluoromethyl)piperidin-2-one
CID 135025195
1-(3,5-Dimethylpiperidyl)-2-methylpentan-1-one
CID 2904846
3,3,3-Trifluoro-1-piperidin-1-yl-2-trifluoromethyl-propan-1-one
CID 4328661
1-(3,3,3-Trifluoropropanoyl)piperidine
CID 14383592
1-(4,4-Difluoropiperidin-1-yl)ethanone
CID 23402906
2-Fluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 45080727

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (CID 59475901) is 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is C[C@@H]1CCCN(C(=O)C(C)(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is YMCKZGIGJSKFGQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7-4-3-5-12(6-7)8(13)9(2,10)11/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 191.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 59475901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).