bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene

C16H5F16P — CID 87882884

IUPACbis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
SMILESFC(F)(F)CPCC(F)(F)F.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12F10.C4H5F6P/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;5-3(6,7)1-11-2-4(8,9)10/h;11H,1-2H2
InChIKeyCCIXCXXEVVJEBA-UHFFFAOYSA-N
MW532.16 g/mol
LogP7.53
Rot. Bonds3

About bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene

bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene (PubChem CID 87882884) has the molecular formula C16H5F16P and a molecular weight of 532.16 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
PubChem CID87882884
Molecular FormulaC16H5F16P
Molecular Weight532.16 g/mol
Exact Mass531.99
IUPAC Namebis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
SMILESFC(F)(F)CPCC(F)(F)F.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C12F10.C4H5F6P/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;5-3(6,7)1-11-2-4(8,9)10/h;11H,1-2H2
InChIKeyCCIXCXXEVVJEBA-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.16
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene 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 bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene?
The IUPAC name of bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene (CID 87882884) is bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene.
What is the SMILES notation for bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene?
The canonical SMILES for bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene is FC(F)(F)CPCC(F)(F)F.Fc1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene?
The InChIKey is CCIXCXXEVVJEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F10.C4H5F6P/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16;5-3(6,7)1-11-2-4(8,9)10/h;11H,1-2H2.
What are the key properties of bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene?
bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene has a molecular weight of 532.16 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene is sourced from PubChem (CID 87882884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).