Ishikawa's Reagent

CAT: 0024-sc-252916Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-252916Size:25 g

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CAS Number

309-88-6

Chemical Information

N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine

CAS Number	309-88-6
PubChem CID	136149
IUPAC Name	N,N-diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine
Molecular Formula	C7H11F6N
Molecular Weight	223.16
XLogP	3.3
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	174

SMILES

CCN(CC)C(C(C(F)(F)F)F)(F)F

InChI

InChI=1S/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3

InChIKey

BNTFCVMJHBNJAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 309-88-6

CID: 136149

Formula: C7H11F6N

MW: 223.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.16
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	223.07956833
Monoisotopic Mass	223.07956833
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174
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
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