carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)

C13H31BFN3Ti — CID 171766549

IUPACcarbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)
SMILESC[N-]B(C)C[C@@H]1CCCC1F.C[N-]C.C[N-]C.[CH3-].[Ti+4]
InChIInChI=1S/C8H16BFN.2C2H6N.CH3.Ti/c1-9(11-2)6-7-4-3-5-8(7)10;2*1-3-2;;/h7-8H,3-6H2,1-2H3;2*1-2H3;1H3;/q4*-1;+4/t7-,8?;;;;/m0..../s1
InChIKeyPMFGLVVNYMDBCF-DANFDYGCSA-N
MW307.09 g/mol
LogP4.44
Rot. Bonds3

About carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)

carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+) (PubChem CID 171766549) has the molecular formula C13H31BFN3Ti and a molecular weight of 307.09 g/mol. Its IUPAC name is carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+).

Molecular Properties

Compound Namecarbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)
PubChem CID171766549
Molecular FormulaC13H31BFN3Ti
Molecular Weight307.09 g/mol
Exact Mass307.21
IUPAC Namecarbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)
SMILESC[N-]B(C)C[C@@H]1CCCC1F.C[N-]C.C[N-]C.[CH3-].[Ti+4]
InChIInChI=1S/C8H16BFN.2C2H6N.CH3.Ti/c1-9(11-2)6-7-4-3-5-8(7)10;2*1-3-2;;/h7-8H,3-6H2,1-2H3;2*1-2H3;1H3;/q4*-1;+4/t7-,8?;;;;/m0..../s1
InChIKeyPMFGLVVNYMDBCF-DANFDYGCSA-N
XLogP4.44
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)?
The IUPAC name of carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+) (CID 171766549) is carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+).
What is the SMILES notation for carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)?
The canonical SMILES for carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+) is C[N-]B(C)C[C@@H]1CCCC1F.C[N-]C.C[N-]C.[CH3-].[Ti+4].
What is the InChIKey of carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)?
The InChIKey is PMFGLVVNYMDBCF-DANFDYGCSA-N. The full InChI is InChI=1S/C8H16BFN.2C2H6N.CH3.Ti/c1-9(11-2)6-7-4-3-5-8(7)10;2*1-3-2;;/h7-8H,3-6H2,1-2H3;2*1-2H3;1H3;/q4*-1;+4/t7-,8?;;;;/m0..../s1.
What are the key properties of carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+)?
carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+) has a molecular weight of 307.09 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(dimethylazanide);[[(1R)-2-fluorocyclopentyl]methyl-methylboranyl]-methylazanide;titanium(4+) is sourced from PubChem (CID 171766549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).