dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane

C8H5Cl2F6P — CID 90421883

IUPACdichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane
SMILESFC(F)(F)P(Cl)(Cl)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H5Cl2F6P/c9-17(10,7(11,12)13,8(14,15)16)6-4-2-1-3-5-6/h1-5H
InChIKeyHENIJBWFQCYRKH-UHFFFAOYSA-N
MW317.00 g/mol
LogP5.21
Rot. Bonds1

About dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane

dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane (PubChem CID 90421883) has the molecular formula C8H5Cl2F6P and a molecular weight of 317.00 g/mol. Its IUPAC name is dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane.

Molecular Properties

Compound Namedichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane
PubChem CID90421883
Molecular FormulaC8H5Cl2F6P
Molecular Weight317.00 g/mol
Exact Mass315.94
IUPAC Namedichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane
SMILESFC(F)(F)P(Cl)(Cl)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H5Cl2F6P/c9-17(10,7(11,12)13,8(14,15)16)6-4-2-1-3-5-6/h1-5H
InChIKeyHENIJBWFQCYRKH-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.00
LogP ≤ 55.21
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 dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane?
The IUPAC name of dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane (CID 90421883) is dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane.
What is the SMILES notation for dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane?
The canonical SMILES for dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane is FC(F)(F)P(Cl)(Cl)(c1ccccc1)C(F)(F)F.
What is the InChIKey of dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane?
The InChIKey is HENIJBWFQCYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F6P/c9-17(10,7(11,12)13,8(14,15)16)6-4-2-1-3-5-6/h1-5H.
What are the key properties of dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane?
dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane has a molecular weight of 317.00 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-phenyl-bis(trifluoromethyl)-λ5-phosphane is sourced from PubChem (CID 90421883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).