Perfluorohexadecanoic acid

CAT: 0127-PC6066-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC6066-02Size:5 g

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CAS Number

67905-19-5

Synonyms

Perfluoropalmitic acid, Hentriacontafluorohexadecanoic acid

MDL Number

MFCD00153239

Purity

95%

Smiles

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

Chemical Information

Perfluorohexadecanoic acid

CAS Number	67905-19-5
PubChem CID	106027
IUPAC Name	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoic acid
Molecular Formula	C16HF31O2
Molecular Weight	814.13
XLogP	10.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	33
Rotatable Bond Count	14
Heavy Atom Count	49
Formal Charge	0
Complexity	1250

SMILES

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

InChI

InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)

InChIKey

OJMBMWRMTMHMSZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67905-19-5

CID: 106027

Formula: C16HF31O2

MW: 814.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	814.13
XLogP3	10.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	33
Rotatable Bond Count	14
Exact Mass	813.9481523
Monoisotopic Mass	813.9481523
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1250
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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Catalog	Name
sc-264048B	Perfluorohexadecanoic acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
OL1198	Okadaic acid, free acid
162742-01	Behenic Acid (Docosanoic Acid)
021038-01	Stearidonic Acid (Moroctic Acid)
011628	Ethylenediaminediacetic Acid Dipropionic Acid
L2500-02-01	A-Lipoic Acid (Thioctic Acid)
A2304-01	Cacodylic Acid, Free Acid

Perfluorohexadecanoic acid

Chemical Information

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