(Perfluoro-n-decyl) ethane

CAT: 0127-PC5969MSize: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC5969MSize:1 g

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CAS Number

154478-87-2

Synonyms

1H,1H,1H,2H,2H-Perfluorododecane

MDL Number

MFCD00236699

Purity

97%

Smiles

CCC(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

(Perfluoro-n-decyl)ethane

CAS Number	154478-87-2
PubChem CID	2776070
IUPAC Name	1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
Molecular Formula	C12H5F21
Molecular Weight	548.13
XLogP	8.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	9
Heavy Atom Count	33
Formal Charge	0
Complexity	709

SMILES

CCC(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/C12H5F21/c1-2-3(13,14)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/h2H2,1H3

InChIKey

HUPGRQWHZOWFPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154478-87-2

CID: 2776070

Formula: C12H5F21

MW: 548.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	548.13
XLogP3	8.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	9
Exact Mass	548.0055916
Monoisotopic Mass	548.0055916
Topological Polar Surface Area	0 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	709
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
PC9795	1H,1H-Perfluoro-n-decyl acrylate
PC9796-01	1H,1H-Perfluoro-n-decyl methacrylate
PC5974D-01	3- (Perfluoro-n-decyl) -1,2-propenoxide
PC450205	1,2-Dibromo-1- (perfluoro-n-hexyl) ethane
PC4894-01	1-Iodo-1,2-bis (perfluoro-n-butyl) ethane
PC6123	Perfluoro (N-methylpiperidine)
PC6122-01	Perfluoro (N-methylmorpholine)
PC48475-01	Perfluoro-n-heptane
PC104137	Perfluoro-n-pentanesulfonyl chloride
BID6002-01	N-Decyl-beta-D-maltopyranoside

Catalog	Name
sc-331674A	(Perfluoro-n-decyl) ethane
sc-358491B	(Perfluoro-n-hexyl) ethane
sc-331675	(Perfluoro-n-octyl) ethane
MBS6047796-01	N,N'-Dimethylenediamine (N,N'-Dimethyl-ethane-1,2-diamine, 1,2-Bis(methylamino)ethane)
RG-E082529-01	N, N'- (Ethane-1,2-Diyl) Diformamide
TRC-E675815-500MG	N,N'-((Ethane-1,2-diylbis(azanediyl))bis(ethane-2,1-diyl))dibenzamide
460020-01	N, N'- ((Ethane-1,2-diylbis (azanediyl) ) bis (ethane-2,1-diyl) ) dibenzamide
RG-E200102-01	N, N'- (Ethane-1,2-Diyl) Distearamide
SQB04784-01	N- (3-Aminopropyl) ethane-1-sulfonamide
RQB83093-01	N- (4-Cyanophenyl) ethane-1-sulfonamide