trifluoro-(3-hydroxy-3-methylbutyl)boranuide

C5H11BF3O- — CID 55251459

IUPACtrifluoro-(3-hydroxy-3-methylbutyl)boranuide
SMILESCC(C)(O)CC[B-](F)(F)F
InChIInChI=1S/C5H11BF3O/c1-5(2,10)3-4-6(7,8)9/h10H,3-4H2,1-2H3/q-1
InChIKeyNYNVUJKUYWSINC-UHFFFAOYSA-N
MW154.95 g/mol
LogP1.99
Rot. Bonds3

About trifluoro-(3-hydroxy-3-methylbutyl)boranuide

trifluoro-(3-hydroxy-3-methylbutyl)boranuide (PubChem CID 55251459) has the molecular formula C5H11BF3O- and a molecular weight of 154.95 g/mol. Its IUPAC name is trifluoro-(3-hydroxy-3-methylbutyl)boranuide.

Molecular Properties

Compound Nametrifluoro-(3-hydroxy-3-methylbutyl)boranuide
PubChem CID55251459
Molecular FormulaC5H11BF3O-
Molecular Weight154.95 g/mol
Exact Mass155.09
IUPAC Nametrifluoro-(3-hydroxy-3-methylbutyl)boranuide
SMILESCC(C)(O)CC[B-](F)(F)F
InChIInChI=1S/C5H11BF3O/c1-5(2,10)3-4-6(7,8)9/h10H,3-4H2,1-2H3/q-1
InChIKeyNYNVUJKUYWSINC-UHFFFAOYSA-N
XLogP1.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.95
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 trifluoro-(3-hydroxy-3-methylbutyl)boranuide?
The IUPAC name of trifluoro-(3-hydroxy-3-methylbutyl)boranuide (CID 55251459) is trifluoro-(3-hydroxy-3-methylbutyl)boranuide.
What is the SMILES notation for trifluoro-(3-hydroxy-3-methylbutyl)boranuide?
The canonical SMILES for trifluoro-(3-hydroxy-3-methylbutyl)boranuide is CC(C)(O)CC[B-](F)(F)F.
What is the InChIKey of trifluoro-(3-hydroxy-3-methylbutyl)boranuide?
The InChIKey is NYNVUJKUYWSINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BF3O/c1-5(2,10)3-4-6(7,8)9/h10H,3-4H2,1-2H3/q-1.
What are the key properties of trifluoro-(3-hydroxy-3-methylbutyl)boranuide?
trifluoro-(3-hydroxy-3-methylbutyl)boranuide has a molecular weight of 154.95 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(3-hydroxy-3-methylbutyl)boranuide is sourced from PubChem (CID 55251459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).