trifluoro(oxolan-2-ylmethoxymethyl)boranuide

C6H11BF3O2- — CID 63704679

IUPACtrifluoro(oxolan-2-ylmethoxymethyl)boranuide
SMILESF[B-](F)(F)COCC1CCCO1
InChIInChI=1S/C6H11BF3O2/c8-7(9,10)5-11-4-6-2-1-3-12-6/h6H,1-5H2/q-1
InChIKeyGSULFUHWBIEQSC-UHFFFAOYSA-N
MW182.96 g/mol
LogP1.57
Rot. Bonds4

About trifluoro(oxolan-2-ylmethoxymethyl)boranuide

trifluoro(oxolan-2-ylmethoxymethyl)boranuide (PubChem CID 63704679) has the molecular formula C6H11BF3O2- and a molecular weight of 182.96 g/mol. Its IUPAC name is trifluoro(oxolan-2-ylmethoxymethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(oxolan-2-ylmethoxymethyl)boranuide
PubChem CID63704679
Molecular FormulaC6H11BF3O2-
Molecular Weight182.96 g/mol
Exact Mass183.08
IUPAC Nametrifluoro(oxolan-2-ylmethoxymethyl)boranuide
SMILESF[B-](F)(F)COCC1CCCO1
InChIInChI=1S/C6H11BF3O2/c8-7(9,10)5-11-4-6-2-1-3-12-6/h6H,1-5H2/q-1
InChIKeyGSULFUHWBIEQSC-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.96
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trifluoro(oxolan-2-ylmethoxymethyl)boranuide?
The IUPAC name of trifluoro(oxolan-2-ylmethoxymethyl)boranuide (CID 63704679) is trifluoro(oxolan-2-ylmethoxymethyl)boranuide.
What is the SMILES notation for trifluoro(oxolan-2-ylmethoxymethyl)boranuide?
The canonical SMILES for trifluoro(oxolan-2-ylmethoxymethyl)boranuide is F[B-](F)(F)COCC1CCCO1.
What is the InChIKey of trifluoro(oxolan-2-ylmethoxymethyl)boranuide?
The InChIKey is GSULFUHWBIEQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BF3O2/c8-7(9,10)5-11-4-6-2-1-3-12-6/h6H,1-5H2/q-1.
What are the key properties of trifluoro(oxolan-2-ylmethoxymethyl)boranuide?
trifluoro(oxolan-2-ylmethoxymethyl)boranuide has a molecular weight of 182.96 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(oxolan-2-ylmethoxymethyl)boranuide is sourced from PubChem (CID 63704679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).