2-Perfluorodecyl Ethanoic Acid

CAT: 0572-TRC-P270440-5MGSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-P270440-5MGSize:5 mg

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CAS Number

53826-13-4

Synonyms

FDEA; 10:2 FTA; Dodecanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluoro-; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecanoic acid; 10:2 FTCA; 2,2-Dihydroperfluorododecanoic acid; Perfluorodecylacetic acid

Hazard Statement

Harmful if swallowed

Smiles

OC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Formula

C12 H3 F21 O2

Molecular Weight

578.12

InChI

InChI=1S/C12H3F21O2/c13-3(14,1-2(34)35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1H2,(H,34,35)

Additionnal Information

IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecanoic acid

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

102Fta

CAS Number	53826-13-4
PubChem CID	11028244
IUPAC Name	3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecanoic acid
Molecular Formula	C12H3F21O2
Molecular Weight	578.12
XLogP	6.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	10
Heavy Atom Count	35
Formal Charge	0
Complexity	806

SMILES

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

InChI

InChI=1S/C12H3F21O2/c13-3(14,1-2(34)35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1H2,(H,34,35)

InChIKey

IKHNVATUHWDNGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53826-13-4

CID: 11028244

Formula: C12H3F21O2

MW: 578.12

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	578.12
XLogP3	6.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	10
Exact Mass	577.9797707
Monoisotopic Mass	577.9797707
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	806
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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2-Perfluorodecyl Ethanoic Acid

Chemical Information

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