1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

C12H22BF8N — CID 87861070

IUPAC1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCCC[N+]1(CCC)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H22N.C2BF8/c1-3-7-11(8-4-2)9-5-6-10-11;4-1(5,2(6,7)8)3(9,10)11/h3-10H2,1-2H3;/q+1;-1
InChIKeyDSWMEQQLAHGMOK-UHFFFAOYSA-N
MW343.11 g/mol
LogP4.99
Rot. Bonds5

About 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide

1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (PubChem CID 87861070) has the molecular formula C12H22BF8N and a molecular weight of 343.11 g/mol. Its IUPAC name is 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.

Molecular Properties

Compound Name1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
PubChem CID87861070
Molecular FormulaC12H22BF8N
Molecular Weight343.11 g/mol
Exact Mass343.17
IUPAC Name1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
SMILESCCC[N+]1(CCC)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H22N.C2BF8/c1-3-7-11(8-4-2)9-5-6-10-11;4-1(5,2(6,7)8)3(9,10)11/h3-10H2,1-2H3;/q+1;-1
InChIKeyDSWMEQQLAHGMOK-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The IUPAC name of 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide (CID 87861070) is 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide.
What is the SMILES notation for 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The canonical SMILES for 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is CCC[N+]1(CCC)CCCC1.F[B-](F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
The InChIKey is DSWMEQQLAHGMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N.C2BF8/c1-3-7-11(8-4-2)9-5-6-10-11;4-1(5,2(6,7)8)3(9,10)11/h3-10H2,1-2H3;/q+1;-1.
What are the key properties of 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide?
1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide has a molecular weight of 343.11 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide is sourced from PubChem (CID 87861070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).