Methyl perfluorooctanoate

CAT: 0024-sc-235837Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-235837Size:5 g

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CAS Number

376-27-2

Chemical Information

Methyl perfluorooctanoate

CAS Number	376-27-2
PubChem CID	67824
IUPAC Name	methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
Molecular Formula	C9H3F15O2
Molecular Weight	428.09
XLogP	5.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	546

SMILES

COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3

InChIKey

XOCNYZFAMHDXJK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 376-27-2

CID: 67824

Formula: C9H3F15O2

MW: 428.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	428.09
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	7
Exact Mass	427.9893518
Monoisotopic Mass	427.9893518
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	546
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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