N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine

C4H10Cl3FN2OP2 — CID 23417509

IUPACN-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(Cl)(Cl)=NP(=O)(F)Cl
InChIInChI=1S/C4H10Cl3FN2OP2/c1-3-10(4-2)12(5,6)9-13(7,8)11/h3-4H2,1-2H3
InChIKeyBVSHDLKSXUPARN-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.07
Rot. Bonds4

About N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine

N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine (PubChem CID 23417509) has the molecular formula C4H10Cl3FN2OP2 and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine
PubChem CID23417509
Molecular FormulaC4H10Cl3FN2OP2
Molecular Weight289.44 g/mol
Exact Mass287.93
IUPAC NameN-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(Cl)(Cl)=NP(=O)(F)Cl
InChIInChI=1S/C4H10Cl3FN2OP2/c1-3-10(4-2)12(5,6)9-13(7,8)11/h3-4H2,1-2H3
InChIKeyBVSHDLKSXUPARN-UHFFFAOYSA-N
XLogP5.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.07
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-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine (CID 23417509) is N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine is CCN(CC)P(Cl)(Cl)=NP(=O)(F)Cl.
What is the InChIKey of N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine?
The InChIKey is BVSHDLKSXUPARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10Cl3FN2OP2/c1-3-10(4-2)12(5,6)9-13(7,8)11/h3-4H2,1-2H3.
What are the key properties of N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine?
N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine has a molecular weight of 289.44 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 23417509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).