difluoro(pyrrolidin-1-ylmethyl)borane

C5H10BF2N — CID 55270577

IUPACdifluoro(pyrrolidin-1-ylmethyl)borane
SMILESFB(F)CN1CCCC1
InChIInChI=1S/C5H10BF2N/c7-6(8)5-9-3-1-2-4-9/h1-5H2
InChIKeySNQBLAYSZGWSNN-UHFFFAOYSA-N
MW132.95 g/mol
LogP1.05
Rot. Bonds2

About difluoro(pyrrolidin-1-ylmethyl)borane

difluoro(pyrrolidin-1-ylmethyl)borane (PubChem CID 55270577) has the molecular formula C5H10BF2N and a molecular weight of 132.95 g/mol. Its IUPAC name is difluoro(pyrrolidin-1-ylmethyl)borane.

Molecular Properties

Compound Namedifluoro(pyrrolidin-1-ylmethyl)borane
PubChem CID55270577
Molecular FormulaC5H10BF2N
Molecular Weight132.95 g/mol
Exact Mass133.09
IUPAC Namedifluoro(pyrrolidin-1-ylmethyl)borane
SMILESFB(F)CN1CCCC1
InChIInChI=1S/C5H10BF2N/c7-6(8)5-9-3-1-2-4-9/h1-5H2
InChIKeySNQBLAYSZGWSNN-UHFFFAOYSA-N
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.95
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro(pyrrolidin-1-ylmethyl)borane?
The IUPAC name of difluoro(pyrrolidin-1-ylmethyl)borane (CID 55270577) is difluoro(pyrrolidin-1-ylmethyl)borane.
What is the SMILES notation for difluoro(pyrrolidin-1-ylmethyl)borane?
The canonical SMILES for difluoro(pyrrolidin-1-ylmethyl)borane is FB(F)CN1CCCC1.
What is the InChIKey of difluoro(pyrrolidin-1-ylmethyl)borane?
The InChIKey is SNQBLAYSZGWSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF2N/c7-6(8)5-9-3-1-2-4-9/h1-5H2.
What are the key properties of difluoro(pyrrolidin-1-ylmethyl)borane?
difluoro(pyrrolidin-1-ylmethyl)borane has a molecular weight of 132.95 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(pyrrolidin-1-ylmethyl)borane is sourced from PubChem (CID 55270577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).