1-adamantyl(difluoroboranylmethyl)azanium

C11H19BF2N+ — CID 140679174

IUPAC1-adamantyl(difluoroboranylmethyl)azanium
SMILESFB(F)C[NH2+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18BF2N/c13-12(14)7-15-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,15H,1-7H2/p+1
InChIKeyDFCWMEXXZNVYTR-UHFFFAOYSA-O
MW214.09 g/mol
LogP1.49
Rot. Bonds3

About 1-adamantyl(difluoroboranylmethyl)azanium

1-adamantyl(difluoroboranylmethyl)azanium (PubChem CID 140679174) has the molecular formula C11H19BF2N+ and a molecular weight of 214.09 g/mol. Its IUPAC name is 1-adamantyl(difluoroboranylmethyl)azanium.

Molecular Properties

Compound Name1-adamantyl(difluoroboranylmethyl)azanium
PubChem CID140679174
Molecular FormulaC11H19BF2N+
Molecular Weight214.09 g/mol
Exact Mass214.16
IUPAC Name1-adamantyl(difluoroboranylmethyl)azanium
SMILESFB(F)C[NH2+]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18BF2N/c13-12(14)7-15-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,15H,1-7H2/p+1
InChIKeyDFCWMEXXZNVYTR-UHFFFAOYSA-O
XLogP1.49
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-adamantyl(prop-2-enyl)azanium
CID 7312723
1-adamantyl(2-cyanoethyl)azanium
CID 2384518
1-adamantyl(methanidyl)azanium
CID 58907453
1-adamantyl-[[4-(difluoromethoxy)phenyl]methyl]azanium
CID 7063679
1-adamantyl-[(2-hydroxyphenyl)methyl]azanium
CID 7471163
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
Adamantylsilicone
CID 18798576
1-adamantyl-[(4-nitrophenyl)methyl]azanium
CID 7302684
CID 87817296
CID 87817296
1-adamantyl-[(3-nitrophenyl)methyl]azanium
CID 7079764
bis(1-adamantyl)-propan-2-ylphosphane
CID 12040497
bis(1-adamantyl)methanimine
CID 87876115

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(difluoroboranylmethyl)azanium?
The IUPAC name of 1-adamantyl(difluoroboranylmethyl)azanium (CID 140679174) is 1-adamantyl(difluoroboranylmethyl)azanium.
What is the SMILES notation for 1-adamantyl(difluoroboranylmethyl)azanium?
The canonical SMILES for 1-adamantyl(difluoroboranylmethyl)azanium is FB(F)C[NH2+]C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(difluoroboranylmethyl)azanium?
The InChIKey is DFCWMEXXZNVYTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18BF2N/c13-12(14)7-15-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,15H,1-7H2/p+1.
What are the key properties of 1-adamantyl(difluoroboranylmethyl)azanium?
1-adamantyl(difluoroboranylmethyl)azanium has a molecular weight of 214.09 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(difluoroboranylmethyl)azanium is sourced from PubChem (CID 140679174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).