2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone

C10H17F2NO — CID 103516156

IUPAC2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C10H17F2NO/c1-7(2)8-3-5-13(6-4-8)10(14)9(11)12/h7-9H,3-6H2,1-2H3
InChIKeyHNUJFHQTLCAESG-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.15
Rot. Bonds2

About 2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone

2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 103516156) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID103516156
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C10H17F2NO/c1-7(2)8-3-5-13(6-4-8)10(14)9(11)12/h7-9H,3-6H2,1-2H3
InChIKeyHNUJFHQTLCAESG-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.15
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-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 103516156) is 2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)C1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is HNUJFHQTLCAESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7(2)8-3-5-13(6-4-8)10(14)9(11)12/h7-9H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone?
2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 205.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103516156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).