trifluoro(4-hydroxybutoxy)boranuide

C4H9BF3O2- — CID 172523875

IUPACtrifluoro(4-hydroxybutoxy)boranuide
SMILESOCCCCO[B-](F)(F)F
InChIInChI=1S/C4H9BF3O2/c6-5(7,8)10-4-2-1-3-9/h9H,1-4H2/q-1
InChIKeyVXQNQDMEWMOGMM-UHFFFAOYSA-N
MW156.92 g/mol
LogP1.12
Rot. Bonds5

About trifluoro(4-hydroxybutoxy)boranuide

trifluoro(4-hydroxybutoxy)boranuide (PubChem CID 172523875) has the molecular formula C4H9BF3O2- and a molecular weight of 156.92 g/mol. Its IUPAC name is trifluoro(4-hydroxybutoxy)boranuide.

Molecular Properties

Compound Nametrifluoro(4-hydroxybutoxy)boranuide
PubChem CID172523875
Molecular FormulaC4H9BF3O2-
Molecular Weight156.92 g/mol
Exact Mass157.07
IUPAC Nametrifluoro(4-hydroxybutoxy)boranuide
SMILESOCCCCO[B-](F)(F)F
InChIInChI=1S/C4H9BF3O2/c6-5(7,8)10-4-2-1-3-9/h9H,1-4H2/q-1
InChIKeyVXQNQDMEWMOGMM-UHFFFAOYSA-N
XLogP1.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.92
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro(4-hydroxybutoxy)boranuide?
The IUPAC name of trifluoro(4-hydroxybutoxy)boranuide (CID 172523875) is trifluoro(4-hydroxybutoxy)boranuide.
What is the SMILES notation for trifluoro(4-hydroxybutoxy)boranuide?
The canonical SMILES for trifluoro(4-hydroxybutoxy)boranuide is OCCCCO[B-](F)(F)F.
What is the InChIKey of trifluoro(4-hydroxybutoxy)boranuide?
The InChIKey is VXQNQDMEWMOGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BF3O2/c6-5(7,8)10-4-2-1-3-9/h9H,1-4H2/q-1.
What are the key properties of trifluoro(4-hydroxybutoxy)boranuide?
trifluoro(4-hydroxybutoxy)boranuide has a molecular weight of 156.92 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(4-hydroxybutoxy)boranuide is sourced from PubChem (CID 172523875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).