(Perfluorohexyl) acetic acid

CAT: 0926-DCA82612-01Size: 0.05 gDry Ice: NoHazardous: No

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CAT#:0926-DCA82612-01Size:0.05 g

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CAS Number

53826-12-3

MDL Number

MFCD06203190

Smiles

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

Molecular Formula

C8H3F13O2

Molecular Weight

378.09 g/mol

Controlled

Chemical Information

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanoic acid

62FTA is a medium-chain fatty acid.

CAS Number	53826-12-3
PubChem CID	11783764
IUPAC Name	3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid
Molecular Formula	C8H3F13O2
Molecular Weight	378.09
XLogP	4.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	463

SMILES

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

InChI

InChI=1S/C8H3F13O2/c9-3(10,1-2(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H2,(H,22,23)

InChIKey

LRWIIEJPCFNNCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53826-12-3

CID: 11783764

Formula: C8H3F13O2

MW: 378.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.09
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Exact Mass	377.9925454
Monoisotopic Mass	377.9925454
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	463
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

Catalog	Name
FB89771	Bis (perfluorohexyl) phosphinic acid sodium salt
FP60407	(Perfluorohexyl) phenyliodonium Trifluoromethanesulfonate
HCB32377-01	Hydroxyzine acetic acid
CAA34538-01	(Trimethylsilyl) acetic acid
FP63431-01	Phosphonooxy acetic acid
FT64704-01	Triphenyl acetic acid
FM29365-01	Methanesulphonyl acetic acid
FA164732-01	Acetic acid-13C2
BAA87862-01	(2-Acetyl-phenoxy) -acetic acid
FAA88891	2-[Acetyl (methyl) amino]acetic acid

Catalog	Name
462246-01	(Perfluorohexyl) acetic Acid
TRC-P286325-250MG	(Perfluorohexyl)acetic Acid
TRC-B443743-50MG	Bis(perfluorohexyl)phosphinic Acid
442921-01	Bis (perfluorohexyl) phosphinic Acid
TRC-B443740-50MG	Bis(perfluorohexyl)phosphinic Acid Sodium Salt
159233	2- (Perfluorohexyl) ethane-1-sulfonic Acid
sc-503654	Bis (perfluorohexyl) phosphinic Acid Sodium Salt
RG-A030507-01	Acetic Acid
sc-250677	Perfluorohexyl iodide