potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide

C5H8BF5KN — CID 130713549

IUPACpotassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide
SMILESF[B-](F)(F)CN1CCC(F)(F)C1.[K+]
InChIInChI=1S/C5H8BF5N.K/c7-5(8)1-2-12(3-5)4-6(9,10)11;/h1-4H2;/q-1;+1
InChIKeyIZROKMLTEZMQPB-UHFFFAOYSA-N
MW227.03 g/mol
LogP-1.28
Rot. Bonds2

About potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide

potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide (PubChem CID 130713549) has the molecular formula C5H8BF5KN and a molecular weight of 227.03 g/mol. Its IUPAC name is potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide
PubChem CID130713549
Molecular FormulaC5H8BF5KN
Molecular Weight227.03 g/mol
Exact Mass227.03
IUPAC Namepotassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide
SMILESF[B-](F)(F)CN1CCC(F)(F)C1.[K+]
InChIInChI=1S/C5H8BF5N.K/c7-5(8)1-2-12(3-5)4-6(9,10)11;/h1-4H2;/q-1;+1
InChIKeyIZROKMLTEZMQPB-UHFFFAOYSA-N
XLogP-1.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.03
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Potassium trifluoro[(pyrrolidin-1-yl)methyl]borate
CID 45588176
N-methyl-N-butylpyrrolidinium-pentafluoroethyltrifluoroborate
CID 12157906
Trifluoro(pyrrolidin-1-ylmethyl)borate
CID 23653591
1-Methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
CID 44229488
Difluoro(pyrrolidin-1-ylmethyl)borane
CID 55270577
CID 58944961
CID 58944961
1,1-Diethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87860797
1,1-Dibutylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87861029
1,1-Dimethylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87861069
1,1-Dipropylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87861070
1-Ethyl-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87861083
(3,3-Difluoropyrrolidin-1-yl)methyl-trifluoroboranuide
CID 89239980

Frequently Asked Questions

What is the IUPAC name of potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide (CID 130713549) is potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide is F[B-](F)(F)CN1CCC(F)(F)C1.[K+].
What is the InChIKey of potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide?
The InChIKey is IZROKMLTEZMQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BF5N.K/c7-5(8)1-2-12(3-5)4-6(9,10)11;/h1-4H2;/q-1;+1.
What are the key properties of potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide?
potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide has a molecular weight of 227.03 g/mol, XLogP of -1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3,3-difluoropyrrolidin-1-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 130713549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).