Perfluoro (1,2-dimethylcyclohexane)

CAT: 0127-PC5979L-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC5979L-01Size:25 g

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CAS Number

306-98-9

MDL Number

MFCD00066612

Purity

70%

Smiles

FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F

Chemical Information

Perfluoro-1,2-dimethylcyclohexane

CAS Number	306-98-9
PubChem CID	101640
IUPAC Name	1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-bis(trifluoromethyl)cyclohexane
Molecular Formula	C8F16
Molecular Weight	400.06
XLogP	5.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	0
Heavy Atom Count	24
Formal Charge	0
Complexity	475

SMILES

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

InChI

InChI=1S/C8F16/c9-1(7(19,20)21)2(10,8(22,23)24)4(13,14)6(17,18)5(15,16)3(1,11)12

InChIKey

GHBZJUJZNRLHBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 306-98-9

CID: 101640

Formula: C8F16

MW: 400.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	400.06
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	0
Exact Mass	399.9744506
Monoisotopic Mass	399.9744506
Topological Polar Surface Area	0 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	475
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
PC5979M-01	Perfluoro (1,3-dimethylcyclohexane)
PC4322-01	Perfluoro (1,4-dimethylcyclohexane)
OR1044149-01	Cis-1,2-dimethylcyclohexane
OR1044148-01	Trans-1,2-dimethylcyclohexane
OR923906-01	2,2-Dimethylcyclohexane-1,3-dione
PC5979K-01	Perfluoro-1,2-dimethylcyclobutane
PC450121	Perfluoro (1,2-diethylcyclohexane)
OR27591	2,5-dimethylcyclohexane-1,3-dione
OR1078833-01	1,2-Dimethylcyclohexane (cis- and trans- mixture)
OR928538	N1, N2-Dimethylcyclohexane-1,2-diamine

Catalog	Name
sc-236335	Perfluoro-1,2-dimethylcyclohexane
sc-250675	Perfluoro-1,3-dimethylcyclohexane
581689	Perfluoro(1,3-dimethylcyclohexane)
T21075-01	Perfluoro (1,3-dimethylcyclohexane)
FP81429-01	Perfluoro (1,4-Dimethylcyclohexane)
sc-279958	Perfluoro-1,2-dimethylcyclobutane
sc-228918B	Perfluoro-2-butyltetrahydrofuran
FP60439-01	Perfluoro (2-butyltetrahydrofuran)
RG-P012000-01	Perfluoro-1 -Octane
462227-01	Perfluoro-1-iododecane