2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete

C15H15F6P — CID 15899637

IUPAC2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C23CC4CC(CC(C4)C2)C3)=P1
InChIInChI=1S/C15H15F6P/c16-14(17,18)10-11(22-12(10)15(19,20)21)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2
InChIKeyZAHXNQVVRIAISY-UHFFFAOYSA-N
MW340.25 g/mol
LogP5.71
Rot. Bonds1

About 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete

2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete (PubChem CID 15899637) has the molecular formula C15H15F6P and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete.

Molecular Properties

Compound Name2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete
PubChem CID15899637
Molecular FormulaC15H15F6P
Molecular Weight340.25 g/mol
Exact Mass340.08
IUPAC Name2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C23CC4CC(CC(C4)C2)C3)=P1
InChIInChI=1S/C15H15F6P/c16-14(17,18)10-11(22-12(10)15(19,20)21)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2
InChIKeyZAHXNQVVRIAISY-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.25
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete?
The IUPAC name of 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete (CID 15899637) is 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete.
What is the SMILES notation for 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete?
The canonical SMILES for 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete is FC(F)(F)C1=C(C(F)(F)F)C(C23CC4CC(CC(C4)C2)C3)=P1.
What is the InChIKey of 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete?
The InChIKey is ZAHXNQVVRIAISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6P/c16-14(17,18)10-11(22-12(10)15(19,20)21)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2.
What are the key properties of 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete?
2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete has a molecular weight of 340.25 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-3,4-bis(trifluoromethyl)phosphete is sourced from PubChem (CID 15899637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).