trifluoro-(1-methylpyrrolidin-2-yl)boranuide

C5H10BF3N- — CID 147600458

IUPACtrifluoro-(1-methylpyrrolidin-2-yl)boranuide
SMILESCN1CCCC1[B-](F)(F)F
InChIInChI=1S/C5H10BF3N/c1-10-4-2-3-5(10)6(7,8)9/h5H,2-4H2,1H3/q-1
InChIKeyGAANQBHVHJMTEX-UHFFFAOYSA-N
MW151.95 g/mol
LogP1.47
Rot. Bonds1

About trifluoro-(1-methylpyrrolidin-2-yl)boranuide

trifluoro-(1-methylpyrrolidin-2-yl)boranuide (PubChem CID 147600458) has the molecular formula C5H10BF3N- and a molecular weight of 151.95 g/mol. Its IUPAC name is trifluoro-(1-methylpyrrolidin-2-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(1-methylpyrrolidin-2-yl)boranuide
PubChem CID147600458
Molecular FormulaC5H10BF3N-
Molecular Weight151.95 g/mol
Exact Mass152.09
IUPAC Nametrifluoro-(1-methylpyrrolidin-2-yl)boranuide
SMILESCN1CCCC1[B-](F)(F)F
InChIInChI=1S/C5H10BF3N/c1-10-4-2-3-5(10)6(7,8)9/h5H,2-4H2,1H3/q-1
InChIKeyGAANQBHVHJMTEX-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.95
LogP ≤ 51.47
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

[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
1,2-dimethylpyrrolidine;methanol
CID 158560912
azane;1,2-dimethylpyrrolidine;hydroiodide
CID 173111970
3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate
CID 174876425
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(2R)-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 89224311
(2R)-2-methanidyl-1-methylpyrrolidine;tungsten
CID 178106473
1,2-dimethyl-azacyclotetradecane
CID 70834681
1,2-dimethyl-azacyclododecane
CID 70316000
1-(1-methylpyrrolidin-2-yl)ethenamine
CID 143166918
1-(1-methylpyrrolidin-2-yl)cyclopropan-1-amine
CID 84648581
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411

Frequently Asked Questions

What is the IUPAC name of trifluoro-(1-methylpyrrolidin-2-yl)boranuide?
The IUPAC name of trifluoro-(1-methylpyrrolidin-2-yl)boranuide (CID 147600458) is trifluoro-(1-methylpyrrolidin-2-yl)boranuide.
What is the SMILES notation for trifluoro-(1-methylpyrrolidin-2-yl)boranuide?
The canonical SMILES for trifluoro-(1-methylpyrrolidin-2-yl)boranuide is CN1CCCC1[B-](F)(F)F.
What is the InChIKey of trifluoro-(1-methylpyrrolidin-2-yl)boranuide?
The InChIKey is GAANQBHVHJMTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF3N/c1-10-4-2-3-5(10)6(7,8)9/h5H,2-4H2,1H3/q-1.
What are the key properties of trifluoro-(1-methylpyrrolidin-2-yl)boranuide?
trifluoro-(1-methylpyrrolidin-2-yl)boranuide has a molecular weight of 151.95 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(1-methylpyrrolidin-2-yl)boranuide is sourced from PubChem (CID 147600458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).