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Perfluoro-2-methyl-3-ethylpentane

CAT: 1266-JH917773Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
354-97-2
Molecular Formula
C8F18
Molecular Weight
438.06

Chemical Information

Perfluoro-2-methyl-3-ethylpentane
CAS Number354-97-2
PubChem CID14594407
IUPAC Name1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pentane
Molecular FormulaC8F18
Molecular Weight438.06
XLogP6.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity469
SMILES
C(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C8F18/c9-1(3(11,12)7(21,22)23,4(13,14)8(24,25)26)2(10,5(15,16)17)6(18,19)20
InChIKey
BJHXOADCFUOTIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluoro-2-methyl-3-ethylpentane
CAS: 354-97-2
CID: 14594407
Formula: C8F18
MW: 438.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.06
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count3
Exact Mass437.9712569
Monoisotopic Mass437.9712569
Topological Polar Surface Area0 Ų
Heavy Atom Count26
Formal Charge0
Complexity469
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
PC53303Perfluoro-2-methyl-3-ethylpentane
PC53050-01Perfluoro (3-ethylpentane)
OR10776743-Ethylpentane
sc-257790Methyl perfluoro (2-methyl-3-oxahexanoate)
FP75176-01Perfluoro- (2-methyl-3-pentanone)
TRC-P999235-5GPerfluoro(2-methyl-3-pentanone)
PC108168Perfluoro (2-methyl-3-oxahexanenitrile)
FA34936-01Ammonium perfluoro (2-methyl-3-oxahexanoate)
T83721-01Perfluoro (2-methyl-3-oxahexanoic) acid
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