2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one

C13H22FNO — CID 80695358

IUPAC2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCF
InChIInChI=1S/C13H22FNO/c14-8-10-15-9-4-3-6-12(15)11-5-1-2-7-13(11)16/h11-12H,1-10H2
InChIKeyVVXBBOMPTFPSRC-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.57
Rot. Bonds3

About 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 80695358) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID80695358
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1CCF
InChIInChI=1S/C13H22FNO/c14-8-10-15-9-4-3-6-12(15)11-5-1-2-7-13(11)16/h11-12H,1-10H2
InChIKeyVVXBBOMPTFPSRC-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one (CID 80695358) is 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1CCF.
What is the InChIKey of 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is VVXBBOMPTFPSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c14-8-10-15-9-4-3-6-12(15)11-5-1-2-7-13(11)16/h11-12H,1-10H2.
What are the key properties of 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 227.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 80695358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).