trifluoro(3-methylbutoxymethyl)boranuide

C6H13BF3O- — CID 63703893

IUPACtrifluoro(3-methylbutoxymethyl)boranuide
SMILESCC(C)CCOC[B-](F)(F)F
InChIInChI=1S/C6H13BF3O/c1-6(2)3-4-11-5-7(8,9)10/h6H,3-5H2,1-2H3/q-1
InChIKeyMDQCVNXVBPIBAB-UHFFFAOYSA-N
MW168.97 g/mol
LogP2.44
Rot. Bonds5

About trifluoro(3-methylbutoxymethyl)boranuide

trifluoro(3-methylbutoxymethyl)boranuide (PubChem CID 63703893) has the molecular formula C6H13BF3O- and a molecular weight of 168.97 g/mol. Its IUPAC name is trifluoro(3-methylbutoxymethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(3-methylbutoxymethyl)boranuide
PubChem CID63703893
Molecular FormulaC6H13BF3O-
Molecular Weight168.97 g/mol
Exact Mass169.10
IUPAC Nametrifluoro(3-methylbutoxymethyl)boranuide
SMILESCC(C)CCOC[B-](F)(F)F
InChIInChI=1S/C6H13BF3O/c1-6(2)3-4-11-5-7(8,9)10/h6H,3-5H2,1-2H3/q-1
InChIKeyMDQCVNXVBPIBAB-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.97
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
trifluoro(2-methylpentoxymethyl)boranuide
CID 103285792
6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714
CID 148792664
CID 148792664
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
1-(isocyanomethoxy)-3-methylbutane
CID 168764258
2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
CID 142623254

Frequently Asked Questions

What is the IUPAC name of trifluoro(3-methylbutoxymethyl)boranuide?
The IUPAC name of trifluoro(3-methylbutoxymethyl)boranuide (CID 63703893) is trifluoro(3-methylbutoxymethyl)boranuide.
What is the SMILES notation for trifluoro(3-methylbutoxymethyl)boranuide?
The canonical SMILES for trifluoro(3-methylbutoxymethyl)boranuide is CC(C)CCOC[B-](F)(F)F.
What is the InChIKey of trifluoro(3-methylbutoxymethyl)boranuide?
The InChIKey is MDQCVNXVBPIBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BF3O/c1-6(2)3-4-11-5-7(8,9)10/h6H,3-5H2,1-2H3/q-1.
What are the key properties of trifluoro(3-methylbutoxymethyl)boranuide?
trifluoro(3-methylbutoxymethyl)boranuide has a molecular weight of 168.97 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(3-methylbutoxymethyl)boranuide is sourced from PubChem (CID 63703893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).