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Perfluoro-2,11-dimethyldodecane

CAT: 0127-PC5991Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
118694-32-9
MDL Number
MFCD00233701
Purity
97%
Smiles
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F

Chemical Information

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Tetracosafluoro-2,11-bis(trifluoromethyl)dodecane
CAS Number118694-32-9
PubChem CID2776090
IUPAC Name1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-tetracosafluoro-2,11-bis(trifluoromethyl)dodecane
Molecular FormulaC14F30
Molecular Weight738.10
XLogP10.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count30
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity928
SMILES
C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C14F30/c15-1(11(33,34)35,12(36,37)38)3(17,18)5(21,22)7(25,26)9(29,30)10(31,32)8(27,28)6(23,24)4(19,20)2(16,13(39,40)41)14(42,43)44
InChIKey
PCEMNVWCINQDOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Tetracosafluoro-2,11-bis(trifluoromethyl)dodecane
CAS: 118694-32-9
CID: 2776090
Formula: C14F30
MW: 738.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight738.10
XLogP310.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count30
Rotatable Bond Count9
Exact Mass737.9520949
Monoisotopic Mass737.9520949
Topological Polar Surface Area0 Ų
Heavy Atom Count44
Formal Charge0
Complexity928
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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