1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one

C11H14FNO — CID 168964199

IUPAC1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one
SMILESO=C1CCN(C2=C(F)CCC=C2)CC1
InChIInChI=1S/C11H14FNO/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h2,4H,1,3,5-8H2
InChIKeyDYUFTXFSMVYPJE-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.18
Rot. Bonds1

About 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one

1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one (PubChem CID 168964199) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one
PubChem CID168964199
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one
SMILESO=C1CCN(C2=C(F)CCC=C2)CC1
InChIInChI=1S/C11H14FNO/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h2,4H,1,3,5-8H2
InChIKeyDYUFTXFSMVYPJE-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one?
The IUPAC name of 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one (CID 168964199) is 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one.
What is the SMILES notation for 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one?
The canonical SMILES for 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one is O=C1CCN(C2=C(F)CCC=C2)CC1.
What is the InChIKey of 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one?
The InChIKey is DYUFTXFSMVYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-3-1-2-4-11(10)13-7-5-9(14)6-8-13/h2,4H,1,3,5-8H2.
What are the key properties of 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one?
1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one has a molecular weight of 195.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one is sourced from PubChem (CID 168964199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).