Perfluoroperhydrofluoranthene

CAT: 0926-FP79122-02Size: 2 KgDry Ice: NoHazardous: No

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CAT#:0926-FP79122-02Size:2 Kg

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CAS Number

662-28-2

MDL Number

MFCD00066607

Smiles

C12 (C3 (C4 (C (C1 (C (C (C (C2 (C (C (C3 (F) F) (F) F) (F) F) F) (F) F) (F) F) (F) F) F) (C (C (C (C4 (F) F) (F) F) (F) F) (F) F) F) F) F) F

Molecular Formula

C16F26

Molecular Weight

686.13 g/mol

Controlled

Yes

Chemical Information

Perfluoroperhydrofluoranthene

CAS Number	662-28-2
PubChem CID	150842
IUPAC Name	1,1,2,2,3,3,3a,4,4,5,5,6,6,6a,6b,7,7,8,8,9,9,10,10,10a,10b,10c-hexacosafluorofluoranthene
Molecular Formula	C16F26
Molecular Weight	686.13
XLogP	7.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	26
Rotatable Bond Count	0
Heavy Atom Count	42
Formal Charge	0
Complexity	1170

SMILES

C12(C3(C4(C(C1(C(C(C(C2(C(C(C3(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F)F)(C(C(C(C4(F)F)(F)F)(F)F)(F)F)F)F)F)F

InChI

InChI=1S/C16F26/c17-1-2(18)4(20)5(21,10(29,30)16(41,42)15(39,40)9(4,27)28)3(1,19)8(25,26)14(37,38)12(33,34)6(1,22)11(31,32)13(35,36)7(2,23)24

InChIKey

YEMLBKSPDFVXEO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 662-28-2

CID: 150842

Formula: C16F26

MW: 686.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	686.13
XLogP3	7.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	26
Rotatable Bond Count	0
Exact Mass	685.9584822
Monoisotopic Mass	685.9584822
Topological Polar Surface Area	0 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes