1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone

C11H17F2NO — CID 59854606

IUPAC1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H17F2NO/c1-9(15)10(2-3-10)8-14-6-4-11(12,13)5-7-14/h2-8H2,1H3
InChIKeyKXKLBEPDYGBIBH-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.09
Rot. Bonds3

About 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone

1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone (PubChem CID 59854606) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone
PubChem CID59854606
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone
SMILESCC(=O)C1(CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H17F2NO/c1-9(15)10(2-3-10)8-14-6-4-11(12,13)5-7-14/h2-8H2,1H3
InChIKeyKXKLBEPDYGBIBH-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone (CID 59854606) is 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone is CC(=O)C1(CN2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone?
The InChIKey is KXKLBEPDYGBIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-9(15)10(2-3-10)8-14-6-4-11(12,13)5-7-14/h2-8H2,1H3.
What are the key properties of 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone?
1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone has a molecular weight of 217.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,4-difluoropiperidin-1-yl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 59854606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).