[2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane

C8H3Cl2F6P — CID 15031708

IUPAC[2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1P(Cl)Cl
InChIInChI=1S/C8H3Cl2F6P/c9-17(10)6-4(7(11,12)13)2-1-3-5(6)8(14,15)16/h1-3H
InChIKeyLMLBXYUJHZOGSQ-UHFFFAOYSA-N
MW314.98 g/mol
LogP5.14
Rot. Bonds1

About [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane

[2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane (PubChem CID 15031708) has the molecular formula C8H3Cl2F6P and a molecular weight of 314.98 g/mol. Its IUPAC name is [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane.

Molecular Properties

Compound Name[2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane
PubChem CID15031708
Molecular FormulaC8H3Cl2F6P
Molecular Weight314.98 g/mol
Exact Mass313.93
IUPAC Name[2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1P(Cl)Cl
InChIInChI=1S/C8H3Cl2F6P/c9-17(10)6-4(7(11,12)13)2-1-3-5(6)8(14,15)16/h1-3H
InChIKeyLMLBXYUJHZOGSQ-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.98
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane
CID 12073575
[2-diphenylphosphanyl-3-(trifluoromethyl)phenyl]-diphenylphosphane
CID 174981798
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-tert-butyl-2-chloro-3-(trifluoromethyl)benzene
CID 58837040
2,6-bis(trifluoromethyl)benzenesulfonyl chloride
CID 18981651
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane
CID 12073570
magnesium;2,6-bis(trifluoromethyl)phenolate;bromide
CID 139924766
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
[2-amino-3-(trifluoromethyl)phenyl] hypochlorite
CID 91120927
dichloro-[2-(trichloromethyl)phenyl]phosphane
CID 54542486

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane?
The IUPAC name of [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane (CID 15031708) is [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane.
What is the SMILES notation for [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane?
The canonical SMILES for [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane is FC(F)(F)c1cccc(C(F)(F)F)c1P(Cl)Cl.
What is the InChIKey of [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane?
The InChIKey is LMLBXYUJHZOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F6P/c9-17(10)6-4(7(11,12)13)2-1-3-5(6)8(14,15)16/h1-3H.
What are the key properties of [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane?
[2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane has a molecular weight of 314.98 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(trifluoromethyl)phenyl]-dichlorophosphane is sourced from PubChem (CID 15031708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).