[(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide

C7H13BF3- — CID 125180328

IUPAC[(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide
SMILESC/C(=C\C(C)(C)C)[B-](F)(F)F
InChIInChI=1S/C7H13BF3/c1-6(8(9,10)11)5-7(2,3)4/h5H,1-4H3/q-1/b6-5+
InChIKeyILKSIZRRDUMGDJ-AATRIKPKSA-N
MW164.99 g/mol
LogP3.37
Rot. Bonds1

About [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide

[(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide (PubChem CID 125180328) has the molecular formula C7H13BF3- and a molecular weight of 164.99 g/mol. Its IUPAC name is [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide.

Molecular Properties

Compound Name[(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide
PubChem CID125180328
Molecular FormulaC7H13BF3-
Molecular Weight164.99 g/mol
Exact Mass165.11
IUPAC Name[(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide
SMILESC/C(=C\C(C)(C)C)[B-](F)(F)F
InChIInChI=1S/C7H13BF3/c1-6(8(9,10)11)5-7(2,3)4/h5H,1-4H3/q-1/b6-5+
InChIKeyILKSIZRRDUMGDJ-AATRIKPKSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.99
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium but-2-en-2-yl(trifluoro)boranuide
CID 122197708
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
(E)-2,2,4-trimethylhex-3-ene
CID 5365974
4,6,6-trimethylhepta-2,4-dienylidenevanadium
CID 149391182
4,4-dimethyl-2-phosphorosopent-2-ene
CID 57008494
(Z)-2-isocyano-4,4-dimethylpent-2-ene
CID 88856835
(4E)-4,6,6-trimethylhepta-2,4-diene
CID 177420463
2,4,4-trimethylpent-2-en-1-amine
CID 79330157
(E)-2,2,4,6,6-pentamethylhept-3-ene
CID 5365103
[(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane
CID 134905939
(E)-2-fluoro-4,4-dimethylpent-2-enoic acid
CID 19373367

Frequently Asked Questions

What is the IUPAC name of [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide?
The IUPAC name of [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide (CID 125180328) is [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide.
What is the SMILES notation for [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide?
The canonical SMILES for [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide is C/C(=C\C(C)(C)C)[B-](F)(F)F.
What is the InChIKey of [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide?
The InChIKey is ILKSIZRRDUMGDJ-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13BF3/c1-6(8(9,10)11)5-7(2,3)4/h5H,1-4H3/q-1/b6-5+.
What are the key properties of [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide?
[(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide has a molecular weight of 164.99 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide is sourced from PubChem (CID 125180328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).