CAS 80464-74-0|Ytterbium tris[3-(heptafluoropropylhydroxymethylene)-(-)-camphorate]|tris({2,2,3,3,4,4,4-heptafluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene]butoxy})ytterbium|Y...

General Information

Structure

Molecular Formula

C₄₂H₄₂F₂₁O₆Yb

Molecular Mass

1214.7997472

Exact Mass

1215.20346868

Charge

InChI

InChI=1S/3C14H15F7O2.Yb/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6,23H,4-5H2,1-3H3;/q;;;+3/p-3/t3*6-,11+;/m111./s1

InChIKey

NBSIYJBDGKNPLM-NGFDQIBISA-K

Canonic Smiles

O=C1/C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/O[Yb](O/C(=C/2\C(=O)[C@]3(C([C@@H]2CC3)(C)C)C)/C(C(C(F)(F)F)(F)F)(F)F)O/C(=C/2\C(=O)[C@]3(C([C@@H]2CC3)(C)C)C)/C(C(C(F)(F)F)(F)F)(F)F)/[C@@H]2C([C@@]1(C)CC2)(C)C

Isomeric Smiles

C[C@@]12C([C@@H](/C(=C(/O[Yb](O/C(=C/3\C(=O)[C@]4(C([C@@H]3CC4)(C)C)C)/C(F)(F)C(F)(F)C(F)(F)F)O/C(=C\3/C(=O)[C@]4(C([C@@H]3CC4)(C)C)C)/C(F)(F)C(F)(F)C(F)(F)F)\C(F)(F)C(F)(F)C(F)(F)F)/C1=O)CC2)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

14.6205

LogD (pH = 7.4)

14.6205

Log P

14.6205

Molar Refractivity

196.4694

Polarizability

79.76213

Polar Surface Area

78.9

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Ytterbium tris[3-(heptafluoropropylhydroxymethylene)-(-)-camphorate]Yb(hfc)3三[3-(七氟丙基羟基亚甲基)-(-)-樟脑酰基]镱(III)三[3-(七氟丙基羟基亚甲基)-D-樟脑酰基]镱Tris[3-(heptafluoropropylhydroxymethylene)-(-)-camphorato]ytterbium(III)

IUPAC name

tris({2,2,3,3,4,4,4-heptafluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene]butoxy})ytterbium

IUPAC Traditional name

tris({2,2,3,3,4,4,4-heptafluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene]butoxy})ytterbium

Names and Identifiers

Registration numbers

CAS Number

80464-74-0

MDL Number

MFCD00151061

PubChem CID

71309981