Perfluoroheptanenitrile

CAT: 0127-PC10009-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC10009-01Size:1 g

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CAS Number

62038-08-8

MDL Number

MFCD03424480

Purity

97%

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C#N

Chemical Information

Perfluoroheptanenitrile

CAS Number	62038-08-8
PubChem CID	2782568
IUPAC Name	2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanenitrile
Molecular Formula	C7F13N
Molecular Weight	345.06
XLogP	4.5
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	449

SMILES

C(#N)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7F13N/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20

InChIKey

NBBJALWGNSZLRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62038-08-8

CID: 2782568

Formula: C7F13N

MW: 345.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	345.06
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	4
Exact Mass	344.9823151
Monoisotopic Mass	344.9823151
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	449
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
PC7736-01	Perfluorohexanenitrile