N,N-diethylethanamine;bis(trifluoroborane)

C6H15B2F6N — CID 161426908

IUPACN,N-diethylethanamine;bis(trifluoroborane)
SMILESCCN(CC)CC.FB(F)F.FB(F)F
InChIInChI=1S/C6H15N.2BF3/c1-4-7(5-2)6-3;2*2-1(3)4/h4-6H2,1-3H3;;
InChIKeyVXMBSVVTXYWGMF-UHFFFAOYSA-N
MW236.81 g/mol
LogP3.11
Rot. Bonds3

About N,N-diethylethanamine;bis(trifluoroborane)

N,N-diethylethanamine;bis(trifluoroborane) (PubChem CID 161426908) has the molecular formula C6H15B2F6N and a molecular weight of 236.81 g/mol. Its IUPAC name is N,N-diethylethanamine;bis(trifluoroborane).

Molecular Properties

Compound NameN,N-diethylethanamine;bis(trifluoroborane)
PubChem CID161426908
Molecular FormulaC6H15B2F6N
Molecular Weight236.81 g/mol
Exact Mass237.13
IUPAC NameN,N-diethylethanamine;bis(trifluoroborane)
SMILESCCN(CC)CC.FB(F)F.FB(F)F
InChIInChI=1S/C6H15N.2BF3/c1-4-7(5-2)6-3;2*2-1(3)4/h4-6H2,1-3H3;;
InChIKeyVXMBSVVTXYWGMF-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.81
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;palladium(2+)
CID 22219787
CID 175820473
CID 175820473
N,N-diethylethanamine chloride
CID 22292735
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylethanamine;pentafluoro-λ5-stibane
CID 88607097
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
CID 173397842
CID 173397842
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
zinc;N,N-diethylethanamine;chloride
CID 19867119
N,N-diethylethanamine;neodymium(3+);trichloride
CID 173208753

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;bis(trifluoroborane)?
The IUPAC name of N,N-diethylethanamine;bis(trifluoroborane) (CID 161426908) is N,N-diethylethanamine;bis(trifluoroborane).
What is the SMILES notation for N,N-diethylethanamine;bis(trifluoroborane)?
The canonical SMILES for N,N-diethylethanamine;bis(trifluoroborane) is CCN(CC)CC.FB(F)F.FB(F)F.
What is the InChIKey of N,N-diethylethanamine;bis(trifluoroborane)?
The InChIKey is VXMBSVVTXYWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.2BF3/c1-4-7(5-2)6-3;2*2-1(3)4/h4-6H2,1-3H3;;.
What are the key properties of N,N-diethylethanamine;bis(trifluoroborane)?
N,N-diethylethanamine;bis(trifluoroborane) has a molecular weight of 236.81 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;bis(trifluoroborane) is sourced from PubChem (CID 161426908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).