trifluoro-(1-methylpyrrolidin-3-yl)boranuide

C5H10BF3N- — CID 169307385

IUPACtrifluoro-(1-methylpyrrolidin-3-yl)boranuide
SMILESCN1CCC([B-](F)(F)F)C1
InChIInChI=1S/C5H10BF3N/c1-10-3-2-5(4-10)6(7,8)9/h5H,2-4H2,1H3/q-1
InChIKeyFUGGQYZIMKAUCK-UHFFFAOYSA-N
MW151.95 g/mol
LogP1.54
Rot. Bonds1

About trifluoro-(1-methylpyrrolidin-3-yl)boranuide

trifluoro-(1-methylpyrrolidin-3-yl)boranuide (PubChem CID 169307385) has the molecular formula C5H10BF3N- and a molecular weight of 151.95 g/mol. Its IUPAC name is trifluoro-(1-methylpyrrolidin-3-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(1-methylpyrrolidin-3-yl)boranuide
PubChem CID169307385
Molecular FormulaC5H10BF3N-
Molecular Weight151.95 g/mol
Exact Mass152.09
IUPAC Nametrifluoro-(1-methylpyrrolidin-3-yl)boranuide
SMILESCN1CCC([B-](F)(F)F)C1
InChIInChI=1S/C5H10BF3N/c1-10-3-2-5(4-10)6(7,8)9/h5H,2-4H2,1H3/q-1
InChIKeyFUGGQYZIMKAUCK-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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

1-Ethyl-1-methylpyrrolidinium Tetrafluoroborate
CID 18374068
1-Butyl-1-methylpyrrolidinium tetrafluoroborate
CID 44717198
1,1-Dimethylpyrrolidinium tetrafluoroborate
CID 12469151
1-Methyl-1-propylpyrrolidinium tetrafluoroborate
CID 23117222
Potassium trifluoro[(pyrrolidin-1-yl)methyl]borate
CID 45588176
Difluoro(pyrrolidin-1-yl)borane
CID 134862692
CID 160104066
CID 160104066
Trifluoro(pyrrolidin-1-ylmethyl)borate
CID 23653591
Difluoro(pyrrolidin-1-ylmethyl)borane
CID 55270577
3,4-Difluoro-1-methylpyrrolidine
CID 58544164
CID 58944853
CID 58944853
CID 58944865
CID 58944865

Frequently Asked Questions

What is the IUPAC name of trifluoro-(1-methylpyrrolidin-3-yl)boranuide?
The IUPAC name of trifluoro-(1-methylpyrrolidin-3-yl)boranuide (CID 169307385) is trifluoro-(1-methylpyrrolidin-3-yl)boranuide.
What is the SMILES notation for trifluoro-(1-methylpyrrolidin-3-yl)boranuide?
The canonical SMILES for trifluoro-(1-methylpyrrolidin-3-yl)boranuide is CN1CCC([B-](F)(F)F)C1.
What is the InChIKey of trifluoro-(1-methylpyrrolidin-3-yl)boranuide?
The InChIKey is FUGGQYZIMKAUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF3N/c1-10-3-2-5(4-10)6(7,8)9/h5H,2-4H2,1H3/q-1.
What are the key properties of trifluoro-(1-methylpyrrolidin-3-yl)boranuide?
trifluoro-(1-methylpyrrolidin-3-yl)boranuide has a molecular weight of 151.95 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(1-methylpyrrolidin-3-yl)boranuide is sourced from PubChem (CID 169307385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).