1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone

C11H19F2NO — CID 59351363

IUPAC1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)C)(C(F)F)CC1
InChIInChI=1S/C11H19F2NO/c1-8(2)11(10(12)13)4-6-14(7-5-11)9(3)15/h8,10H,4-7H2,1-3H3
InChIKeyRQYZESWPQYERPT-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.54
Rot. Bonds2

About 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone

1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone (PubChem CID 59351363) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone
PubChem CID59351363
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(C)C)(C(F)F)CC1
InChIInChI=1S/C11H19F2NO/c1-8(2)11(10(12)13)4-6-14(7-5-11)9(3)15/h8,10H,4-7H2,1-3H3
InChIKeyRQYZESWPQYERPT-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone (CID 59351363) is 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone is CC(=O)N1CCC(C(C)C)(C(F)F)CC1.
What is the InChIKey of 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone?
The InChIKey is RQYZESWPQYERPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8(2)11(10(12)13)4-6-14(7-5-11)9(3)15/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone?
1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone has a molecular weight of 219.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-4-propan-2-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 59351363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).