Octafluorobiphenylene

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CAS Number

13628-92-7

MDL Number

MFCD01631689

Purity

=95%

Smiles

Fc1c(F)c(F)c2c3c(F)c(F)c(F)c(F)c3c2c1F

Chemical Information

Octafluorobiphenylene

CAS Number	13628-92-7
PubChem CID	2775845
IUPAC Name	1,2,3,4,5,6,7,8-octafluorobiphenylene
Molecular Formula	C12F8
Molecular Weight	296.11
XLogP	0.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	320

SMILES

C12=C(C3=C1C(=C(C(=C3F)F)F)F)C(=C(C(=C2F)F)F)F

InChI

InChI=1S/C12F8/c13-5-1-2(6(14)10(18)9(5)17)4-3(1)7(15)11(19)12(20)8(4)16

InChIKey

CQKQSUKECBDFHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13628-92-7

CID: 2775845

Formula: C12F8

MW: 296.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.11
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	295.98722530
Monoisotopic Mass	295.98722530
Topological Polar Surface Area	0 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	320
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