methanamine;trifluoroborane;trihydrofluoride

CH8BF6N — CID 175371049

IUPACmethanamine;trifluoroborane;trihydrofluoride
SMILESCN.F.F.F.FB(F)F
InChIInChI=1S/CH5N.BF3.3FH/c1-2;2-1(3)4;;;/h2H2,1H3;;3*1H
InChIKeyAFRDIBVIJRBJTB-UHFFFAOYSA-N
MW158.88 g/mol
LogP0.91
Rot. Bonds

About methanamine;trifluoroborane;trihydrofluoride

methanamine;trifluoroborane;trihydrofluoride (PubChem CID 175371049) has the molecular formula CH8BF6N and a molecular weight of 158.88 g/mol. Its IUPAC name is methanamine;trifluoroborane;trihydrofluoride.

Molecular Properties

Compound Namemethanamine;trifluoroborane;trihydrofluoride
PubChem CID175371049
Molecular FormulaCH8BF6N
Molecular Weight158.88 g/mol
Exact Mass159.07
IUPAC Namemethanamine;trifluoroborane;trihydrofluoride
SMILESCN.F.F.F.FB(F)F
InChIInChI=1S/CH5N.BF3.3FH/c1-2;2-1(3)4;;;/h2H2,1H3;;3*1H
InChIKeyAFRDIBVIJRBJTB-UHFFFAOYSA-N
XLogP0.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.88
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;trifluoroborane;trihydrofluoride?
The IUPAC name of methanamine;trifluoroborane;trihydrofluoride (CID 175371049) is methanamine;trifluoroborane;trihydrofluoride.
What is the SMILES notation for methanamine;trifluoroborane;trihydrofluoride?
The canonical SMILES for methanamine;trifluoroborane;trihydrofluoride is CN.F.F.F.FB(F)F.
What is the InChIKey of methanamine;trifluoroborane;trihydrofluoride?
The InChIKey is AFRDIBVIJRBJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N.BF3.3FH/c1-2;2-1(3)4;;;/h2H2,1H3;;3*1H.
What are the key properties of methanamine;trifluoroborane;trihydrofluoride?
methanamine;trifluoroborane;trihydrofluoride has a molecular weight of 158.88 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;trifluoroborane;trihydrofluoride is sourced from PubChem (CID 175371049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).