1-[4-(fluoromethyl)piperidin-1-yl]ethanone

C8H14FNO — CID 70214396

IUPAC1-[4-(fluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CF)CC1
InChIInChI=1S/C8H14FNO/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-6H2,1H3
InChIKeyFKDJCUPWAYJMOB-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.21
Rot. Bonds1

About 1-[4-(fluoromethyl)piperidin-1-yl]ethanone

1-[4-(fluoromethyl)piperidin-1-yl]ethanone (PubChem CID 70214396) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-[4-(fluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(fluoromethyl)piperidin-1-yl]ethanone
PubChem CID70214396
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-[4-(fluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CF)CC1
InChIInChI=1S/C8H14FNO/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-6H2,1H3
InChIKeyFKDJCUPWAYJMOB-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(fluoromethyl)piperidin-1-yl]ethanone (CID 70214396) is 1-[4-(fluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(fluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(fluoromethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(CF)CC1.
What is the InChIKey of 1-[4-(fluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is FKDJCUPWAYJMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-6H2,1H3.
What are the key properties of 1-[4-(fluoromethyl)piperidin-1-yl]ethanone?
1-[4-(fluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 159.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70214396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).