1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one

C11H10ClF2NO — CID 118905161

IUPAC1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one
SMILESO=C1CCN(c2ccc(F)cc2Cl)CC1F
InChIInChI=1S/C11H10ClF2NO/c12-8-5-7(13)1-2-10(8)15-4-3-11(16)9(14)6-15/h1-2,5,9H,3-4,6H2
InChIKeyMURUZHXIVQWTDY-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.60
Rot. Bonds1

About 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one

1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one (PubChem CID 118905161) has the molecular formula C11H10ClF2NO and a molecular weight of 245.66 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one
PubChem CID118905161
Molecular FormulaC11H10ClF2NO
Molecular Weight245.66 g/mol
Exact Mass245.04
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one
SMILESO=C1CCN(c2ccc(F)cc2Cl)CC1F
InChIInChI=1S/C11H10ClF2NO/c12-8-5-7(13)1-2-10(8)15-4-3-11(16)9(14)6-15/h1-2,5,9H,3-4,6H2
InChIKeyMURUZHXIVQWTDY-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one (CID 118905161) is 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one is O=C1CCN(c2ccc(F)cc2Cl)CC1F.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one?
The InChIKey is MURUZHXIVQWTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO/c12-8-5-7(13)1-2-10(8)15-4-3-11(16)9(14)6-15/h1-2,5,9H,3-4,6H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one?
1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one has a molecular weight of 245.66 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-fluoropiperidin-4-one is sourced from PubChem (CID 118905161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).