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(Perfluoro-n-decyl) ethane

CAT: 0127-PC5969MSize: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC5969MSize:1 g
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CAS Number
154478-87-2
Synonyms
1H,1H,1H,2H,2H-Perfluorododecane
MDL Number
MFCD00236699
Purity
97%
Smiles
CCC(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)(F)F

Chemical Information

(Perfluoro-n-decyl)ethane
CAS Number154478-87-2
PubChem CID2776070
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
Molecular FormulaC12H5F21
Molecular Weight548.13
XLogP8.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count21
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity709
SMILES
CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H5F21/c1-2-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H2,1H3
InChIKey
HUPGRQWHZOWFPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Perfluoro-n-decyl)ethane
CAS: 154478-87-2
CID: 2776070
Formula: C12H5F21
MW: 548.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.13
XLogP38.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count21
Rotatable Bond Count9
Exact Mass548.0055916
Monoisotopic Mass548.0055916
Topological Polar Surface Area0 Ų
Heavy Atom Count33
Formal Charge0
Complexity709
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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Alternative Products

CatalogName
sc-331674A(Perfluoro-n-decyl) ethane
sc-358491B(Perfluoro-n-hexyl) ethane
sc-331675(Perfluoro-n-octyl) ethane
MBS6047796-01N,N'-Dimethylenediamine (N,N'-Dimethyl-ethane-1,2-diamine, 1,2-Bis(methylamino)ethane)
RG-E082529-01N, N'- (Ethane-1,2-Diyl) Diformamide
RG-E200102-01N, N'- (Ethane-1,2-Diyl) Distearamide
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460020-01N, N'- ((Ethane-1,2-diylbis (azanediyl) ) bis (ethane-2,1-diyl) ) dibenzamide
SQB04784-01N- (3-Aminopropyl) ethane-1-sulfonamide
RQB83093-01N- (4-Cyanophenyl) ethane-1-sulfonamide

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