Bis (pentafluorophenyl) methane

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CAS Number

5736-46-9

MDL Number

MFCD00755516

Purity

=95%

Smiles

Fc1c(F)c(F)c(Cc2c(F)c(F)c(F)c(F)c2F)c(F)c1F

Chemical Information

Bis(pentafluorophenyl)methane

CAS Number	5736-46-9
PubChem CID	602634
IUPAC Name	1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methyl]benzene
Molecular Formula	C13H2F10
Molecular Weight	348.14
XLogP	4.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	340

SMILES

C(C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/C13H2F10/c14-4-2(5(15)9(19)12(22)8(4)18)1-3-6(16)10(20)13(23)11(21)7(3)17/h1H2

InChIKey

BSSLTVJMUSSXTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5736-46-9

CID: 602634

Formula: C13H2F10

MW: 348.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	348.14
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	347.99968168
Monoisotopic Mass	347.99968168
Topological Polar Surface Area	0 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	340
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC5218-01	Bis (pentafluorophenyl) carbonate
PC1235E	Bis (pentafluorophenyl) oxalate
PC109914	Bis (Pentafluorophenyl) Zinc
PC107945	Bis (pentafluorophenyl) hydroxyphosphine
PC1234	Bis (pentafluorophenyl) dimethylsilane
PC6602	Bis (cyclopentadienyl) -bis (pentafluorophenyl) titanium
OR59422-01	Bis (phenylsulphonyl) methane
OR1102738-01	Bis (benzyloxy) methane
OR1012450-01	Bis (Trimethylsilyl) Methane
OR1000009	Bis (methyldichlorosilyl) methane

Catalog	Name
S-2379	Methane
XYA55360	Pentafluorophenyl ethanesulphonate
286563-01	Pentafluorophenyl Isocyanate
288446-01	Pentafluorophenyl Trifluoromethanesulfonate
sc-279953	(Pentafluorophenyl) diphenylphosphine
sc-253248	Pentafluorophenyl trifluoroacetate
sc-215689A	Pentafluorophenyl acetate
sc-253249	(Pentafluorophenyl) triethoxysilane
P03245-01	Pentafluorophenyl Isothiocyanate
462190-01	Pentafluorophenyl Diphenylphosphinate