4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione

C27H25F3NO2P — CID 10972915

IUPAC4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione
SMILESO=C(C(C(=O)C(F)(F)F)=P(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C27H25F3NO2P/c28-27(29,30)25(32)24(26(33)31-19-11-4-12-20-31)34(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2
InChIKeyRVDBDJLIXWSBQF-UHFFFAOYSA-N
MW483.47 g/mol
LogP4.30
Rot. Bonds5

About 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione

4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione (PubChem CID 10972915) has the molecular formula C27H25F3NO2P and a molecular weight of 483.47 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione.

Molecular Properties

Compound Name4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione
PubChem CID10972915
Molecular FormulaC27H25F3NO2P
Molecular Weight483.47 g/mol
Exact Mass483.16
IUPAC Name4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione
SMILESO=C(C(C(=O)C(F)(F)F)=P(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C27H25F3NO2P/c28-27(29,30)25(32)24(26(33)31-19-11-4-12-20-31)34(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2
InChIKeyRVDBDJLIXWSBQF-UHFFFAOYSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione?
The IUPAC name of 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione (CID 10972915) is 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione.
What is the SMILES notation for 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione?
The canonical SMILES for 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione is O=C(C(C(=O)C(F)(F)F)=P(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione?
The InChIKey is RVDBDJLIXWSBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3NO2P/c28-27(29,30)25(32)24(26(33)31-19-11-4-12-20-31)34(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2.
What are the key properties of 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione?
4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione has a molecular weight of 483.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)butane-1,3-dione is sourced from PubChem (CID 10972915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).