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Perfluoro-1,3-dimethylcyclohexane

CAT: 0024-sc-250675ASize: 500 gDry Ice: NoHazardous: No
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CAT#:0024-sc-250675ASize:500 g
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CAS Number
335-27-3

Chemical Information

Perfluoro(1,3-dimethylcyclohexane)
CAS Number335-27-3
PubChem CID78975
IUPAC Name1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane
Molecular FormulaC8F16
Molecular Weight400.06
XLogP5.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity479
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14
InChIKey
LOQGSOTUHASIHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluoro(1,3-dimethylcyclohexane)
CAS: 335-27-3
CID: 78975
Formula: C8F16
MW: 400.06
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.06
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count16
Rotatable Bond Count0
Exact Mass399.9744506
Monoisotopic Mass399.9744506
Topological Polar Surface Area0 Ų
Heavy Atom Count24
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-236335Perfluoro-1,2-dimethylcyclohexane
sc-484929Trans-1,3-Dimethylcyclohexane
sc-239557Cis-1,3-Dimethylcyclohexane
sc-2248431,1-Dimethylcyclohexane
sc-2376831,2-Dimethylcyclohexane
sc-331677Perfluoro (1,3-dipropoxycyclohexane)
sc-331677APerfluoro (1,3-dipropoxycyclohexane)
sc-2229771,3-Dimethylcyclohexane, mixture of cis and trans
sc-227656Cis-1,2-Dimethylcyclohexane
sc-264022Perfluoro (1,3,5-trimethylcyclohexane)

Alternative Products

CatalogName
PC5979M-01Perfluoro (1,3-dimethylcyclohexane)
581689Perfluoro(1,3-dimethylcyclohexane)
FP80840-01Perfluoro-1,2-Dimethylcyclohexane
FP81429-01Perfluoro (1,4-Dimethylcyclohexane)
PC5979L-01Perfluoro (1,2-dimethylcyclohexane)
280190-01Hexadecafluoro (1,3-dimethylcyclohexane)
OR1044093-01Cis-1,3-Dimethylcyclohexane
467799-01Trans-1,3-Dimethylcyclohexane
FJB41165-013- (Bromomethyl) -1,1-dimethylcyclohexane
MIA38264-013,3-Dimethylcyclohexane-1-carbonitrile

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