3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one

C19H15F2NO — CID 66993057

IUPAC3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
SMILESO=C1C(=Cc2ccccc2F)CNCC1=Cc1ccccc1F
InChIInChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2
InChIKeyNIVYQYSNRUIFIF-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.60
Rot. Bonds2

About 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one

3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one (PubChem CID 66993057) has the molecular formula C19H15F2NO and a molecular weight of 311.33 g/mol. Its IUPAC name is 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one.

Molecular Properties

Compound Name3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
PubChem CID66993057
Molecular FormulaC19H15F2NO
Molecular Weight311.33 g/mol
Exact Mass311.11
IUPAC Name3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
SMILESO=C1C(=Cc2ccccc2F)CNCC1=Cc1ccccc1F
InChIInChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2
InChIKeyNIVYQYSNRUIFIF-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one?
The IUPAC name of 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one (CID 66993057) is 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one.
What is the SMILES notation for 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one?
The canonical SMILES for 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one is O=C1C(=Cc2ccccc2F)CNCC1=Cc1ccccc1F.
What is the InChIKey of 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one?
The InChIKey is NIVYQYSNRUIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2.
What are the key properties of 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one?
3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one has a molecular weight of 311.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one is sourced from PubChem (CID 66993057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).