CID 153407894

C7H12BF3N — CID 153407894

IUPAC—
SMILESF.F.F.N[B]Cc1ccccc1
InChIInChI=1S/C7H9BN.3FH/c9-8-6-7-4-2-1-3-5-7;;;/h1-5H,6,9H2;3*1H
InChIKeyVGBGEVCJAWWRRD-UHFFFAOYSA-N
MW177.99 g/mol
LogP1.22
Rot. Bonds2

About CID 153407894

CID 153407894 (PubChem CID 153407894) has the molecular formula C7H12BF3N and a molecular weight of 177.99 g/mol.

Molecular Properties

Compound NameCID 153407894
PubChem CID153407894
Molecular FormulaC7H12BF3N
Molecular Weight177.99 g/mol
Exact Mass178.10
IUPAC Name—
SMILESF.F.F.N[B]Cc1ccccc1
InChIInChI=1S/C7H9BN.3FH/c9-8-6-7-4-2-1-3-5-7;;;/h1-5H,6,9H2;3*1H
InChIKeyVGBGEVCJAWWRRD-UHFFFAOYSA-N
XLogP1.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.99
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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phenyl(113C)methylbenzene
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CID 172793696
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phenylmethanamine;titanium(2+)
CID 21287655
phenylmethanamine;dodecahydrobromide
CID 175510511
benzylsilane;hydron
CID 175019637
benzyl-ethylidene-hydroxyazanium
CID 173075170
dibenzylphosphanide;rubidium(1+)
CID 88781491

Frequently Asked Questions

What is the IUPAC name of CID 153407894?
The IUPAC name of CID 153407894 (CID 153407894) is not available.
What is the SMILES notation for CID 153407894?
The canonical SMILES for CID 153407894 is F.F.F.N[B]Cc1ccccc1.
What is the InChIKey of CID 153407894?
The InChIKey is VGBGEVCJAWWRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BN.3FH/c9-8-6-7-4-2-1-3-5-7;;;/h1-5H,6,9H2;3*1H.
What are the key properties of CID 153407894?
CID 153407894 has a molecular weight of 177.99 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153407894 is sourced from PubChem (CID 153407894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).