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Perfluoroheptanoic Acid

CAT: 0572-TRC-P286300-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P286300-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
375-85-9
Synonyms
Heptanoic acid, tridecafluoro- (6CI,8CI,9CI); 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoic acid; PFHpA; Perfluoro-n-heptanoic acid; Perfluoroenanthic acid; Perfluoroheptanoic acid; Tridecafluoroheptanoic acid; PFC
Hazard Statement
May be corrosive to metals; UN number: UN2923; Packing Group: III
Purity
>95% (HPLC)
Smiles
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Formula
C7 H F13 O2
Molecular Weight
364.06
InChI
InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
Additionnal Information
IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Perfluoroheptanoic acid

Perfluoroheptanoic acid is a fluoroalkanoic acid that is perfluorinated heptanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a perfluoroheptane and a heptanoic acid.

CAS Number375-85-9
PubChem CID67818
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
Molecular FormulaC7HF13O2
Molecular Weight364.06
XLogP4.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity448
SMILES
C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
InChIKey
ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluoroheptanoic acid
CAS: 375-85-9
CID: 67818
Formula: C7HF13O2
MW: 364.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.06
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Exact Mass363.9768954
Monoisotopic Mass363.9768954
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity448
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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