chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium

C9H20BClF3NO — CID 87174938

IUPACchloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(COC)CCCC1.F[B-](F)(F)Cl
InChIInChI=1S/C9H20NO.BClF3/c1-3-6-10(9-11-2)7-4-5-8-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1
InChIKeyIUOTXDKQDNCSDM-UHFFFAOYSA-N
MW261.52 g/mol
LogP3.18
Rot. Bonds4

About chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium

chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium (PubChem CID 87174938) has the molecular formula C9H20BClF3NO and a molecular weight of 261.52 g/mol. Its IUPAC name is chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium.

Molecular Properties

Compound Namechloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium
PubChem CID87174938
Molecular FormulaC9H20BClF3NO
Molecular Weight261.52 g/mol
Exact Mass261.13
IUPAC Namechloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(COC)CCCC1.F[B-](F)(F)Cl
InChIInChI=1S/C9H20NO.BClF3/c1-3-6-10(9-11-2)7-4-5-8-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1
InChIKeyIUOTXDKQDNCSDM-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.52
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate
CID 87289717
1-butyl-1-(propan-2-yloxymethyl)pyrrolidin-1-ium;chloro(trifluoro)boranuide
CID 87175001
1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87861070
1-(ethoxymethyl)-1-propylpyrrolidin-1-ium nitrite
CID 87528955
1,1-dipropylazepan-1-ium iodide
CID 22406023
1-(propoxymethyl)-1-propylpyrrolidin-1-ium nitrite
CID 87528921
1-(ethoxymethyl)-1-propylpyrrolidin-1-ium;2,2,2-trifluoroacetate
CID 66838630
1-ethyl-1-propylpyrrolidin-1-ium chloride
CID 66776312
1-propyl-1-[6-(1-propylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 71247353
1-ethyl-1-(methoxymethyl)pyrrolidin-1-ium thiocyanate
CID 86639054
1,1-diethylpyrrolidin-1-ium tetrafluoroborate
CID 23156701
1-butyl-1-ethylpyrrolidin-1-ium tetrafluoroborate
CID 90238613

Frequently Asked Questions

What is the IUPAC name of chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium?
The IUPAC name of chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium (CID 87174938) is chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium.
What is the SMILES notation for chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium?
The canonical SMILES for chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium is CCC[N+]1(COC)CCCC1.F[B-](F)(F)Cl.
What is the InChIKey of chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium?
The InChIKey is IUOTXDKQDNCSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO.BClF3/c1-3-6-10(9-11-2)7-4-5-8-10;2-1(3,4)5/h3-9H2,1-2H3;/q+1;-1.
What are the key properties of chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium?
chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium has a molecular weight of 261.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(trifluoro)boranuide;1-(methoxymethyl)-1-propylpyrrolidin-1-ium is sourced from PubChem (CID 87174938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).