N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine

C9H8F5NO — CID 43607885

IUPACN-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
SMILESCNCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H8F5NO/c1-15-2-3-16-9-7(13)5(11)4(10)6(12)8(9)14/h15H,2-3H2,1H3
InChIKeyKWOMMJFQANWOIO-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.98
Rot. Bonds4

About N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine

N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine (PubChem CID 43607885) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
PubChem CID43607885
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC NameN-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
SMILESCNCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H8F5NO/c1-15-2-3-16-9-7(13)5(11)4(10)6(12)8(9)14/h15H,2-3H2,1H3
InChIKeyKWOMMJFQANWOIO-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
The IUPAC name of N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine (CID 43607885) is N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
The canonical SMILES for N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine is CNCCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
The InChIKey is KWOMMJFQANWOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c1-15-2-3-16-9-7(13)5(11)4(10)6(12)8(9)14/h15H,2-3H2,1H3.
What are the key properties of N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine has a molecular weight of 241.16 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine is sourced from PubChem (CID 43607885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).