Perfluoroperhydrophenanthrene

CAT: 0926-FP79073-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FP79073-01Size:25 g

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CAS Number

306-91-2

MDL Number

MFCD00042596

Smiles

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

Molecular Formula

C14F24

Molecular Weight

624.11 g/mol

Controlled

Yes

Chemical Information

Perfluoroperhydrophenanthrene

Perfluorophenanthrene is a fluorocarbon. It has a role as a radioopaque medium. It derives from a hydride of a phenanthrene.

CAS Number	306-91-2
PubChem CID	78972
IUPAC Name	1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorophenanthrene
Molecular Formula	C14F24
Molecular Weight	624.11
XLogP	7.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	0
Heavy Atom Count	38
Formal Charge	0
Complexity	986

SMILES

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

InChI

InChI=1S/C14F24/c15-1-2(16)4(18,10(29,30)14(37,38)12(33,34)6(2,21)22)8(25,26)7(23,24)3(1,17)9(27,28)13(35,36)11(31,32)5(1,19)20

InChIKey

QKENRHXGDUPTEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 306-91-2

CID: 78972

Formula: C14F24

MW: 624.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	624.11
XLogP3	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	0
Exact Mass	623.9616759
Monoisotopic Mass	623.9616759
Topological Polar Surface Area	0 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	986
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

Catalog	Name
PC6202-01	Perfluoroperhydrophenanthrene