CID 173397842

C6H19BF4N — CID 173397842

IUPAC—
SMILESCCN(CC)CC.F.F.F.F.[B]
InChIInChI=1S/C6H15N.B.4FH/c1-4-7(5-2)6-3;;;;;/h4-6H2,1-3H3;;4*1H
InChIKeyNPYOHUYMZARTGV-UHFFFAOYSA-N
MW192.03 g/mol
LogP1.58
Rot. Bonds3

About CID 173397842

CID 173397842 (PubChem CID 173397842) has the molecular formula C6H19BF4N and a molecular weight of 192.03 g/mol.

Molecular Properties

Compound NameCID 173397842
PubChem CID173397842
Molecular FormulaC6H19BF4N
Molecular Weight192.03 g/mol
Exact Mass192.15
IUPAC Name—
SMILESCCN(CC)CC.F.F.F.F.[B]
InChIInChI=1S/C6H15N.B.4FH/c1-4-7(5-2)6-3;;;;;/h4-6H2,1-3H3;;4*1H
InChIKeyNPYOHUYMZARTGV-UHFFFAOYSA-N
XLogP1.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 51.58
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

CID 175820473
CID 175820473
N,N-diethylethanamine;hydrate;trihydrofluoride
CID 172684956
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine chloride
CID 22292735
N,N-diethylethanamine;palladium(2+)
CID 22219787
bis(N,N-diethylethanamine);dihydrate
CID 173331052
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858
lithium;N,N-diethylethanamine;hydride
CID 161206277
zinc;N,N-diethylethanamine;chloride
CID 19867119

Frequently Asked Questions

What is the IUPAC name of CID 173397842?
The IUPAC name of CID 173397842 (CID 173397842) is not available.
What is the SMILES notation for CID 173397842?
The canonical SMILES for CID 173397842 is CCN(CC)CC.F.F.F.F.[B].
What is the InChIKey of CID 173397842?
The InChIKey is NPYOHUYMZARTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.B.4FH/c1-4-7(5-2)6-3;;;;;/h4-6H2,1-3H3;;4*1H.
What are the key properties of CID 173397842?
CID 173397842 has a molecular weight of 192.03 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173397842 is sourced from PubChem (CID 173397842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).