N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine

C8H19F3NP — CID 15104159

IUPACN-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine
SMILESCCC(C)P(F)(F)(F)N(CC)CC
InChIInChI=1S/C8H19F3NP/c1-5-8(4)13(9,10,11)12(6-2)7-3/h8H,5-7H2,1-4H3
InChIKeyNNJNTEIBXOOTJI-UHFFFAOYSA-N
MW217.21 g/mol
LogP4.25
Rot. Bonds5

About N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine

N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine (PubChem CID 15104159) has the molecular formula C8H19F3NP and a molecular weight of 217.21 g/mol. Its IUPAC name is N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine
PubChem CID15104159
Molecular FormulaC8H19F3NP
Molecular Weight217.21 g/mol
Exact Mass217.12
IUPAC NameN-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine
SMILESCCC(C)P(F)(F)(F)N(CC)CC
InChIInChI=1S/C8H19F3NP/c1-5-8(4)13(9,10,11)12(6-2)7-3/h8H,5-7H2,1-4H3
InChIKeyNNJNTEIBXOOTJI-UHFFFAOYSA-N
XLogP4.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine (CID 15104159) is N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine is CCC(C)P(F)(F)(F)N(CC)CC.
What is the InChIKey of N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine?
The InChIKey is NNJNTEIBXOOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19F3NP/c1-5-8(4)13(9,10,11)12(6-2)7-3/h8H,5-7H2,1-4H3.
What are the key properties of N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine?
N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine has a molecular weight of 217.21 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-yl(trifluoro)-lambda5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 15104159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).