diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane

C17H13F4N2P — CID 130318739

IUPACdiphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane
SMILESFC(F)(n1ccnc1)C(F)(F)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13F4N2P/c18-16(19,23-12-11-22-13-23)17(20,21)24(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyGODCPQFLOHPBRT-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.16
Rot. Bonds5

About diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane

diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane (PubChem CID 130318739) has the molecular formula C17H13F4N2P and a molecular weight of 352.27 g/mol. Its IUPAC name is diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane.

Molecular Properties

Compound Namediphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane
PubChem CID130318739
Molecular FormulaC17H13F4N2P
Molecular Weight352.27 g/mol
Exact Mass352.08
IUPAC Namediphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane
SMILESFC(F)(n1ccnc1)C(F)(F)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13F4N2P/c18-16(19,23-12-11-22-13-23)17(20,21)24(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKeyGODCPQFLOHPBRT-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane 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 diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane?
The IUPAC name of diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane (CID 130318739) is diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane.
What is the SMILES notation for diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane?
The canonical SMILES for diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane is FC(F)(n1ccnc1)C(F)(F)P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane?
The InChIKey is GODCPQFLOHPBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N2P/c18-16(19,23-12-11-22-13-23)17(20,21)24(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H.
What are the key properties of diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane?
diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane has a molecular weight of 352.27 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane is sourced from PubChem (CID 130318739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).