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Perfluoro(2-methyl-3-pentanone)

CAT: 0572-TRC-P999235-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P999235-1GSize:1 g
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CAS Number
756-13-8
Synonyms
1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone; Dodecafluoro-2-methylpentan-3-one; Heptafluoroisopropyl pentafluoroethyl ketone; Khaldon PFK 49; L 18543; Novec 1230; Novec 649; Perfluoro(ethyl isopropyl ketone); Perfluoro-(4-methylpentan-3-one); Perfluoro-2-methyl-3-pentanone; PFC
Hazard Statement
Harmful in contact with skin
Smiles
FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F
Molecular Formula
C6 F12 O
Molecular Weight
316.04
InChI
InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
Additionnal Information
IUPAC name: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone

Fireproofing Agent

CAS Number756-13-8
PubChem CID2782408
IUPAC Name1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one
Molecular FormulaC6F12O
Molecular Weight316.04
XLogP4.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity342
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F
InChI
InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
InChIKey
RMLFHPWPTXWZNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone
CAS: 756-13-8
CID: 2782408
Formula: C6F12O
MW: 316.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.04
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Exact Mass315.9757526
Monoisotopic Mass315.9757526
Topological Polar Surface Area17.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity342
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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