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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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).