3-Ethoxyperfluoro (2-methylhexane)

CAT: 0024-sc-260906Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-260906Size:25 g

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CAS Number

297730-93-9

Chemical Information

3-Ethoxyperfluoro(2-methylhexane)

structure in first source

CAS Number	297730-93-9
PubChem CID	2782436
IUPAC Name	4-ethoxy-1,1,1,2,2,3,3,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane
Molecular Formula	C9H5F15O
Molecular Weight	414.11
XLogP	5.7
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	457

SMILES

CCOC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(C(F)(F)F)(F)F)(F)F)F

InChI

InChI=1S/C9H5F15O/c1-2-25-6(15,3(10,7(16,17)18)8(19,20)21)4(11,12)5(13,14)9(22,23)24/h2H2,1H3

InChIKey

HHBBIOLEJRWIGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 297730-93-9

CID: 2782436

Formula: C9H5F15O

MW: 414.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.11
XLogP3	5.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	5
Exact Mass	414.0100872
Monoisotopic Mass	414.0100872
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	457
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-A263560-5G	2-Azido-3-methylhexane
RG-M050871-01	3-Methylhexane
S-2515	3-Methylhexane - 1ML
M19460-01	3-Methylhexane 99%
PC450310	2,2,3,3,3-Pentafluoropropyl 2,2,3,3-tetrafluoropropyl carbonate
PC5786	2,2,3,3,3-Pentafluoropropylamine
PC5605	2,2,3,3,3-Pentafluoropropiophenone
PC3683-01	2- (2,2,3,3,3-Pentafluoropropoxymethyl) oxirane
PC4969	2,2,3,3,3-Pentafluoropropyl-2'-fluoroacrylate
PC450297	2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl carbonate