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3- (Perfluorooctyl) propanol

CAT: 0024-sc-255963ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-255963ASize:5 g
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CAS Number
1651-41-8

Chemical Information

3-(Perfluorooctyl)propanol
CAS Number1651-41-8
PubChem CID2776329
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-ol
Molecular FormulaC11H7F17O
Molecular Weight478.14
XLogP6.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity574
SMILES
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
InChI
InChI=1S/C11H7F17O/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h29H,1-3H2
InChIKey
FQTWAKFTSLUFFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Perfluorooctyl)propanol
CAS: 1651-41-8
CID: 2776329
Formula: C11H7F17O
MW: 478.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight478.14
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Exact Mass478.0225436
Monoisotopic Mass478.0225436
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity574
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