2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one

C20H21F2NO — CID 91147268

IUPAC2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one
SMILESCC(C)C1C(=O)CC(c2cccc(F)c2)NC1c1cccc(F)c1
InChIInChI=1S/C20H21F2NO/c1-12(2)19-18(24)11-17(13-5-3-7-15(21)9-13)23-20(19)14-6-4-8-16(22)10-14/h3-10,12,17,19-20,23H,11H2,1-2H3
InChIKeyDFEMTRFLAKIJRQ-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.58
Rot. Bonds3

About 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one

2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one (PubChem CID 91147268) has the molecular formula C20H21F2NO and a molecular weight of 329.39 g/mol. Its IUPAC name is 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one.

Molecular Properties

Compound Name2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one
PubChem CID91147268
Molecular FormulaC20H21F2NO
Molecular Weight329.39 g/mol
Exact Mass329.16
IUPAC Name2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one
SMILESCC(C)C1C(=O)CC(c2cccc(F)c2)NC1c1cccc(F)c1
InChIInChI=1S/C20H21F2NO/c1-12(2)19-18(24)11-17(13-5-3-7-15(21)9-13)23-20(19)14-6-4-8-16(22)10-14/h3-10,12,17,19-20,23H,11H2,1-2H3
InChIKeyDFEMTRFLAKIJRQ-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one?
The IUPAC name of 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one (CID 91147268) is 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one.
What is the SMILES notation for 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one?
The canonical SMILES for 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one is CC(C)C1C(=O)CC(c2cccc(F)c2)NC1c1cccc(F)c1.
What is the InChIKey of 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one?
The InChIKey is DFEMTRFLAKIJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO/c1-12(2)19-18(24)11-17(13-5-3-7-15(21)9-13)23-20(19)14-6-4-8-16(22)10-14/h3-10,12,17,19-20,23H,11H2,1-2H3.
What are the key properties of 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one?
2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one has a molecular weight of 329.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-fluorophenyl)-3-propan-2-ylpiperidin-4-one is sourced from PubChem (CID 91147268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).