1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene

C16H11F6OP — CID 121418755

IUPAC1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene
SMILESC=CP(=O)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F6OP/c1-2-24(23,13-9-5-3-7-11(13)15(17,18)19)14-10-6-4-8-12(14)16(20,21)22/h2-10H,1H2
InChIKeyYUTOCJQCJSNEDI-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.18
Rot. Bonds3

About 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene

1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene (PubChem CID 121418755) has the molecular formula C16H11F6OP and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene
PubChem CID121418755
Molecular FormulaC16H11F6OP
Molecular Weight364.23 g/mol
Exact Mass364.05
IUPAC Name1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene
SMILESC=CP(=O)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F6OP/c1-2-24(23,13-9-5-3-7-11(13)15(17,18)19)14-10-6-4-8-12(14)16(20,21)22/h2-10H,1H2
InChIKeyYUTOCJQCJSNEDI-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene (CID 121418755) is 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene is C=CP(=O)(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene?
The InChIKey is YUTOCJQCJSNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6OP/c1-2-24(23,13-9-5-3-7-11(13)15(17,18)19)14-10-6-4-8-12(14)16(20,21)22/h2-10H,1H2.
What are the key properties of 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene?
1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene has a molecular weight of 364.23 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethenyl-[2-(trifluoromethyl)phenyl]phosphoryl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 121418755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).