N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine

C16H15F5NP — CID 23414819

IUPACN-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine
SMILESCCN(CC)P(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H15F5NP/c1-3-22(4-2)23(10-8-6-5-7-9-10)16-14(20)12(18)11(17)13(19)15(16)21/h5-9H,3-4H2,1-2H3
InChIKeyYZXDHIQMDWQHGD-UHFFFAOYSA-N
MW347.27 g/mol
LogP4.07
Rot. Bonds5

About N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine

N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine (PubChem CID 23414819) has the molecular formula C16H15F5NP and a molecular weight of 347.27 g/mol. Its IUPAC name is N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine
PubChem CID23414819
Molecular FormulaC16H15F5NP
Molecular Weight347.27 g/mol
Exact Mass347.09
IUPAC NameN-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine
SMILESCCN(CC)P(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H15F5NP/c1-3-22(4-2)23(10-8-6-5-7-9-10)16-14(20)12(18)11(17)13(19)15(16)21/h5-9H,3-4H2,1-2H3
InChIKeyYZXDHIQMDWQHGD-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine (CID 23414819) is N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine is CCN(CC)P(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine?
The InChIKey is YZXDHIQMDWQHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5NP/c1-3-22(4-2)23(10-8-6-5-7-9-10)16-14(20)12(18)11(17)13(19)15(16)21/h5-9H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine?
N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine has a molecular weight of 347.27 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2,3,4,5,6-pentafluorophenyl)-phenylphosphanyl]ethanamine is sourced from PubChem (CID 23414819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).