trifluoro(2-methylpentoxymethyl)boranuide

C7H15BF3O- — CID 103285792

IUPACtrifluoro(2-methylpentoxymethyl)boranuide
SMILESCCCC(C)COC[B-](F)(F)F
InChIInChI=1S/C7H15BF3O/c1-3-4-7(2)5-12-6-8(9,10)11/h7H,3-6H2,1-2H3/q-1
InChIKeyOOGFAMLUIYNGGI-UHFFFAOYSA-N
MW183.00 g/mol
LogP2.83
Rot. Bonds6

About trifluoro(2-methylpentoxymethyl)boranuide

trifluoro(2-methylpentoxymethyl)boranuide (PubChem CID 103285792) has the molecular formula C7H15BF3O- and a molecular weight of 183.00 g/mol. Its IUPAC name is trifluoro(2-methylpentoxymethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(2-methylpentoxymethyl)boranuide
PubChem CID103285792
Molecular FormulaC7H15BF3O-
Molecular Weight183.00 g/mol
Exact Mass183.12
IUPAC Nametrifluoro(2-methylpentoxymethyl)boranuide
SMILESCCCC(C)COC[B-](F)(F)F
InChIInChI=1S/C7H15BF3O/c1-3-4-7(2)5-12-6-8(9,10)11/h7H,3-6H2,1-2H3/q-1
InChIKeyOOGFAMLUIYNGGI-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.00
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethoxy)-2-methylpentane
CID 55302796
2-methylpentyl hypofluorite
CID 164530616
2-(2-methylpentoxy)ethanamine
CID 62343431
trifluoro(3-methylbutoxymethyl)boranuide
CID 63703893
3-methyl-4-(2-methylpentoxy)butan-2-ol
CID 19013944
2-(2-methylpentoxy)ethoxysilane
CID 123408825
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
N-[2-(2-methylpentoxy)ethyl]butan-1-amine
CID 103285806
(E)-4-(2-methylpentoxy)but-2-en-1-amine
CID 103283875
2-(methylamino)-3-(2-methylpentoxy)propanamide
CID 103284904
2-methylpentyl carbonofluoridate
CID 175528242

Frequently Asked Questions

What is the IUPAC name of trifluoro(2-methylpentoxymethyl)boranuide?
The IUPAC name of trifluoro(2-methylpentoxymethyl)boranuide (CID 103285792) is trifluoro(2-methylpentoxymethyl)boranuide.
What is the SMILES notation for trifluoro(2-methylpentoxymethyl)boranuide?
The canonical SMILES for trifluoro(2-methylpentoxymethyl)boranuide is CCCC(C)COC[B-](F)(F)F.
What is the InChIKey of trifluoro(2-methylpentoxymethyl)boranuide?
The InChIKey is OOGFAMLUIYNGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BF3O/c1-3-4-7(2)5-12-6-8(9,10)11/h7H,3-6H2,1-2H3/q-1.
What are the key properties of trifluoro(2-methylpentoxymethyl)boranuide?
trifluoro(2-methylpentoxymethyl)boranuide has a molecular weight of 183.00 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(2-methylpentoxymethyl)boranuide is sourced from PubChem (CID 103285792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).