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1- (Perfluorohexyl) butane

CAT: 0127-PC106365Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC106365Size:1 Each
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CAS Number
154478-86-1
Purity
=95%
Smiles
CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Chemical Information

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorodecane
CAS Number154478-86-1
PubChem CID21278186
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane
Molecular FormulaC10H9F13
Molecular Weight376.16
XLogP6.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity405
SMILES
CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H9F13/c1-2-3-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-4H2,1H3
InChIKey
MKVVMPBOVPRQNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorodecane
CAS: 154478-86-1
CID: 21278186
Formula: C10H9F13
MW: 376.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.16
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass376.0496664
Monoisotopic Mass376.0496664
Topological Polar Surface Area0 Ų
Heavy Atom Count23
Formal Charge0
Complexity405
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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