Perfluoro (1,3-dipropoxycyclohexane)

CAT: 0024-sc-331677ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-331677ASize:25 g

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CAS Number

400626-83-7

Chemical Information

Perfluoro(1,3-dipropoxycyclohexane)

CAS Number	400626-83-7
PubChem CID	2776098
IUPAC Name	1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,3,3,3-heptafluoropropoxy)cyclohexane
Molecular Formula	C12F24O2
Molecular Weight	632.09
XLogP	8.1
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	26
Rotatable Bond Count	6
Heavy Atom Count	38
Formal Charge	0
Complexity	842

SMILES

C1(C(C(C(C(C1(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F

InChI

InChI=1S/C12F24O2/c13-1(14)2(15,16)7(25,37-11(33,34)5(21,22)9(27,28)29)4(19,20)8(26,3(1,17)18)38-12(35,36)6(23,24)10(30,31)32

InChIKey

ANARGVKRHRBDMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 400626-83-7

CID: 2776098

Formula: C12F24O2

MW: 632.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	632.09
XLogP3	8.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	26
Rotatable Bond Count	6
Exact Mass	631.9515051
Monoisotopic Mass	631.9515051
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	842
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-250675B	Perfluoro-1,3-dimethylcyclohexane
sc-250675A	Perfluoro-1,3-dimethylcyclohexane
sc-250675	Perfluoro-1,3-dimethylcyclohexane
sc-264022	Perfluoro (1,3,5-trimethylcyclohexane)
sc-331676	Perfluoro (1-ethyl-3-propoxycyclohexane)
sc-331676A	Perfluoro (1-ethyl-3-propoxycyclohexane)
sc-264016B	Perfluoro-3-methylbutyl iodide
sc-264016	Perfluoro-3-methylbutyl iodide
sc-264016A	Perfluoro-3-methylbutyl iodide
sc-279958C	Perfluoro-1,2-dimethylcyclobutane

Catalog	Name
PC1292-01	Perfluoro (1,3-dipropoxycyclohexane)
581689	Perfluoro(1,3-dimethylcyclohexane)
T21075-01	Perfluoro (1,3-dimethylcyclohexane)
JH917778	Perfluoro (1,3-diethylcyclohexane)
FP30055-01	Perfluoro-1,3,5-trimethylcyclohexane
PC108172	Perfluoro-1,3,5-triphenylbenzene
PC3834-01	Perfluoro-3-iodoprop-1-ene
PC6220H-01	Perfluoro (1,3,5-trimethylcyclohexane)
PC1294	Perfluoro (1-ethyl-3-propoxycyclohexane)
JH917775	Perfluoro-3-ethylpentane