N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine

C5H10F3INP — CID 13125766

IUPACN-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine
SMILESCCN(CC)P(I)C(F)(F)F
InChIInChI=1S/C5H10F3INP/c1-3-10(4-2)11(9)5(6,7)8/h3-4H2,1-2H3
InChIKeySLMYKXXUEZJPFZ-UHFFFAOYSA-N
MW299.01 g/mol
LogP3.59
Rot. Bonds3

About N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine

N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine (PubChem CID 13125766) has the molecular formula C5H10F3INP and a molecular weight of 299.01 g/mol. Its IUPAC name is N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine
PubChem CID13125766
Molecular FormulaC5H10F3INP
Molecular Weight299.01 g/mol
Exact Mass298.95
IUPAC NameN-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine
SMILESCCN(CC)P(I)C(F)(F)F
InChIInChI=1S/C5H10F3INP/c1-3-10(4-2)11(9)5(6,7)8/h3-4H2,1-2H3
InChIKeySLMYKXXUEZJPFZ-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.01
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine?
The IUPAC name of N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine (CID 13125766) is N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine?
The canonical SMILES for N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine is CCN(CC)P(I)C(F)(F)F.
What is the InChIKey of N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine?
The InChIKey is SLMYKXXUEZJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3INP/c1-3-10(4-2)11(9)5(6,7)8/h3-4H2,1-2H3.
What are the key properties of N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine?
N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine has a molecular weight of 299.01 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[iodo(trifluoromethyl)phosphanyl]ethanamine is sourced from PubChem (CID 13125766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).