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

C8H6F5NO — CID 5305488

IUPAC2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
SMILESNCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F5NO/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h1-2,14H2
InChIKeyNLGUSCKEXHHEEJ-UHFFFAOYSA-N
MW227.13 g/mol
LogP1.72
Rot. Bonds3

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

2-(2,3,4,5,6-pentafluorophenoxy)ethanamine (PubChem CID 5305488) has the molecular formula C8H6F5NO and a molecular weight of 227.13 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
PubChem CID5305488
Molecular FormulaC8H6F5NO
Molecular Weight227.13 g/mol
Exact Mass227.04
IUPAC Name2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
SMILESNCCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F5NO/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h1-2,14H2
InChIKeyNLGUSCKEXHHEEJ-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Phenoxyethanamine
CID 15651
3-(4-Fluorophenoxy)propan-1-amine
CID 14025825
(E)-3-fluoro-4-phenoxybut-2-en-1-amine
CID 42624010
(E)-4-(3,4-difluorophenoxy)-3-fluorobut-2-en-1-amine
CID 42624093
4-(4-Fluorophenoxy)butan-1-amine
CID 7131478
2-(2-Fluorophenoxy)ethanamine
CID 2106899
(2-Aminoethoxy)benzene hydrochloride
CID 458500
1-(2-Aminopropoxy)-2,4-difluorobenzene
CID 16789030
2-(4-Fluorophenoxy)ethanamine
CID 3135849
(Z)-3-fluoro-4-phenoxybut-2-en-1-amine
CID 42624187
1,2,3,4,5-Pentafluoro-6-(2,2,2-trifluoroethoxy)benzene
CID 2776026
2-(Perfluorophenoxy)acetamide
CID 262900

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenoxy)ethanamine (CID 5305488) is 2-(2,3,4,5,6-pentafluorophenoxy)ethanamine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenoxy)ethanamine is NCCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
The InChIKey is NLGUSCKEXHHEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h1-2,14H2.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
2-(2,3,4,5,6-pentafluorophenoxy)ethanamine has a molecular weight of 227.13 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenoxy)ethanamine is sourced from PubChem (CID 5305488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).