CAS 115007-14-2|1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium tetrafluoroborate|1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium; tetrafluoroboranuide|1-(Chloro-...

General Information

Structure

Molecular Formula

C₉H₁₆BClF₄N₂

Molecular Mass

274.4943528

Exact Mass

274.10311948

Charge

InChI

InChI=1S/C9H16ClN2.BF4/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;2-1(3,4)5/h1-8H2;/q+1;-1

InChIKey

NRROZYAIGHAMHH-UHFFFAOYSA-N

Canonic Smiles

F[B-](F)(F)F.ClC(=[N+]1CCCC1)N1CCCC1

Isomeric Smiles

ClC(=[N+]1CCCC1)N1CCCC1.[B-](F)(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.8953432

LogD (pH = 7.4)

-1.8953432

Log P

-1.8953432

Molar Refractivity

63.5177

Polarizability

19.863277

Polar Surface Area

6.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium tetrafluoroborate 1-[chloro(pyrrolidin-1-yl)methylidene]-1λ⁵-pyrrolidin-1-ylium tetrafluoroborate (1Z)-1-[chloro(pyrrolidin-1-yl)methylidene]-1λ⁵-pyrrolidin-1-ylium tetrafluoroborate

IUPAC name

1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium; tetrafluoroboranuide 1-[chloro(pyrrolidin-1-yl)methylidene]-1λ⁵-pyrrolidin-1-ylium; tetrafluoroboranuide (1Z)-1-[chloro(pyrrolidin-1-yl)methylidene]-1λ⁵-pyrrolidin-1-ylium; tetrafluoroboranuide

Synonyms

1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium tetrafluoroborate 97%Chloro-dipyrrolidinocarbenium tetrafluoroborate1-(氯-1-吡咯烷基亚甲基)吡咯烷鎓四氟磷酸盐氯化-N,N,N',N'-双(丝亚甲基)乙酸甲脒四氟硼酸Chloro-N,N,N′,N′-bis(tetramethylene)formamidinium tetrafluoroborateChloro-N,N,N',N'-bis(tetramethylene)formamidinium tetrafluoroborate1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium tetrafluoroborate

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties