4-(2-fluoroethyl)piperidin-2-one

C7H12FNO — CID 69279556

IUPAC4-(2-fluoroethyl)piperidin-2-one
SMILESO=C1CC(CCF)CCN1
InChIInChI=1S/C7H12FNO/c8-3-1-6-2-4-9-7(10)5-6/h6H,1-5H2,(H,9,10)
InChIKeyQZOOOOOJMJUUGJ-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.87
Rot. Bonds2

About 4-(2-fluoroethyl)piperidin-2-one

4-(2-fluoroethyl)piperidin-2-one (PubChem CID 69279556) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 4-(2-fluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)piperidin-2-one
PubChem CID69279556
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name4-(2-fluoroethyl)piperidin-2-one
SMILESO=C1CC(CCF)CCN1
InChIInChI=1S/C7H12FNO/c8-3-1-6-2-4-9-7(10)5-6/h6H,1-5H2,(H,9,10)
InChIKeyQZOOOOOJMJUUGJ-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)piperidin-2-one?
The IUPAC name of 4-(2-fluoroethyl)piperidin-2-one (CID 69279556) is 4-(2-fluoroethyl)piperidin-2-one.
What is the SMILES notation for 4-(2-fluoroethyl)piperidin-2-one?
The canonical SMILES for 4-(2-fluoroethyl)piperidin-2-one is O=C1CC(CCF)CCN1.
What is the InChIKey of 4-(2-fluoroethyl)piperidin-2-one?
The InChIKey is QZOOOOOJMJUUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-3-1-6-2-4-9-7(10)5-6/h6H,1-5H2,(H,9,10).
What are the key properties of 4-(2-fluoroethyl)piperidin-2-one?
4-(2-fluoroethyl)piperidin-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)piperidin-2-one is sourced from PubChem (CID 69279556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).