N,N-diethylethanamine;fluorophosphonic acid

C6H27F6NO18P6 — CID 173141880

IUPACN,N-diethylethanamine;fluorophosphonic acid
SMILESCCN(CC)CC.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C6H15N.6FH2O3P/c1-4-7(5-2)6-3;6*1-5(2,3)4/h4-6H2,1-3H3;6*(H2,2,3,4)
InChIKeyZIEBUUDLBQERJO-UHFFFAOYSA-N
MW701.10 g/mol
LogP1.64
Rot. Bonds3

About N,N-diethylethanamine;fluorophosphonic acid

N,N-diethylethanamine;fluorophosphonic acid (PubChem CID 173141880) has the molecular formula C6H27F6NO18P6 and a molecular weight of 701.10 g/mol. Its IUPAC name is N,N-diethylethanamine;fluorophosphonic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;fluorophosphonic acid
PubChem CID173141880
Molecular FormulaC6H27F6NO18P6
Molecular Weight701.10 g/mol
Exact Mass700.96
IUPAC NameN,N-diethylethanamine;fluorophosphonic acid
SMILESCCN(CC)CC.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C6H15N.6FH2O3P/c1-4-7(5-2)6-3;6*1-5(2,3)4/h4-6H2,1-3H3;6*(H2,2,3,4)
InChIKeyZIEBUUDLBQERJO-UHFFFAOYSA-N
XLogP1.64
TPSA348.42 Ų
H-Bond Donors12
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.10
LogP ≤ 51.64
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylethanamine;N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine
CID 87468287
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;ethane
CID 22114990
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
CID 19082538
fluorophosphonic acid;hexane;hydrobromide
CID 175894647
N,N-diethylethanamine;oxotitanium
CID 174882939
N,N-diethylethanamine;formaldehyde
CID 88603277
N,N-diethylethanamine;hypochlorous acid
CID 87187871
N,N-dibutylbutan-1-amine;difluorophosphinic acid
CID 130422664
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
bis(N,N-diethylethanamine);oxalic acid
CID 71339505
N,N-diethylethanamine;hydroxy(oxo)phosphanium
CID 131738597

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;fluorophosphonic acid?
The IUPAC name of N,N-diethylethanamine;fluorophosphonic acid (CID 173141880) is N,N-diethylethanamine;fluorophosphonic acid.
What is the SMILES notation for N,N-diethylethanamine;fluorophosphonic acid?
The canonical SMILES for N,N-diethylethanamine;fluorophosphonic acid is CCN(CC)CC.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.
What is the InChIKey of N,N-diethylethanamine;fluorophosphonic acid?
The InChIKey is ZIEBUUDLBQERJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.6FH2O3P/c1-4-7(5-2)6-3;6*1-5(2,3)4/h4-6H2,1-3H3;6*(H2,2,3,4).
What are the key properties of N,N-diethylethanamine;fluorophosphonic acid?
N,N-diethylethanamine;fluorophosphonic acid has a molecular weight of 701.10 g/mol, XLogP of 1.64, 3 rotatable bonds, 12 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;fluorophosphonic acid is sourced from PubChem (CID 173141880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).