N,N-diethylethanamine;hydrate;trihydrofluoride

C6H20F3NO — CID 172684956

IUPACN,N-diethylethanamine;hydrate;trihydrofluoride
SMILESCCN(CC)CC.F.F.F.O
InChIInChI=1S/C6H15N.3FH.H2O/c1-4-7(5-2)6-3;;;;/h4-6H2,1-3H3;3*1H;1H2
InChIKeyAXGDZUVZUKLKMI-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.98
Rot. Bonds3

About N,N-diethylethanamine;hydrate;trihydrofluoride

N,N-diethylethanamine;hydrate;trihydrofluoride (PubChem CID 172684956) has the molecular formula C6H20F3NO and a molecular weight of 179.23 g/mol. Its IUPAC name is N,N-diethylethanamine;hydrate;trihydrofluoride.

Molecular Properties

Compound NameN,N-diethylethanamine;hydrate;trihydrofluoride
PubChem CID172684956
Molecular FormulaC6H20F3NO
Molecular Weight179.23 g/mol
Exact Mass179.15
IUPAC NameN,N-diethylethanamine;hydrate;trihydrofluoride
SMILESCCN(CC)CC.F.F.F.O
InChIInChI=1S/C6H15N.3FH.H2O/c1-4-7(5-2)6-3;;;;/h4-6H2,1-3H3;3*1H;1H2
InChIKeyAXGDZUVZUKLKMI-UHFFFAOYSA-N
XLogP0.98
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(N,N-diethylethanamine);dihydrate
CID 173331052
CID 173397842
CID 173397842
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine chloride
CID 22292735
N,N-diethylethanamine;palladium(2+)
CID 22219787
CID 175820473
CID 175820473
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858
lithium;N,N-diethylethanamine;hydride
CID 161206277
N,N-diethylethanamine;neodymium(3+);trichloride
CID 173208753

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;hydrate;trihydrofluoride?
The IUPAC name of N,N-diethylethanamine;hydrate;trihydrofluoride (CID 172684956) is N,N-diethylethanamine;hydrate;trihydrofluoride.
What is the SMILES notation for N,N-diethylethanamine;hydrate;trihydrofluoride?
The canonical SMILES for N,N-diethylethanamine;hydrate;trihydrofluoride is CCN(CC)CC.F.F.F.O.
What is the InChIKey of N,N-diethylethanamine;hydrate;trihydrofluoride?
The InChIKey is AXGDZUVZUKLKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.3FH.H2O/c1-4-7(5-2)6-3;;;;/h4-6H2,1-3H3;3*1H;1H2.
What are the key properties of N,N-diethylethanamine;hydrate;trihydrofluoride?
N,N-diethylethanamine;hydrate;trihydrofluoride has a molecular weight of 179.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;hydrate;trihydrofluoride is sourced from PubChem (CID 172684956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).