2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine

C10H10F5NO — CID 105007867

IUPAC2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
SMILESCCOCC(N)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5NO/c1-2-17-3-4(16)5-6(11)8(13)10(15)9(14)7(5)12/h4H,2-3,16H2,1H3
InChIKeyPOFKGBQDCCEMDS-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.42
Rot. Bonds4

About 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine

2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine (PubChem CID 105007867) has the molecular formula C10H10F5NO and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
PubChem CID105007867
Molecular FormulaC10H10F5NO
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
SMILESCCOCC(N)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5NO/c1-2-17-3-4(16)5-6(11)8(13)10(15)9(14)7(5)12/h4H,2-3,16H2,1H3
InChIKeyPOFKGBQDCCEMDS-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine?
The IUPAC name of 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine (CID 105007867) is 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine.
What is the SMILES notation for 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine?
The canonical SMILES for 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine is CCOCC(N)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine?
The InChIKey is POFKGBQDCCEMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO/c1-2-17-3-4(16)5-6(11)8(13)10(15)9(14)7(5)12/h4H,2-3,16H2,1H3.
What are the key properties of 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine?
2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine has a molecular weight of 255.19 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2,3,4,5,6-pentafluorophenyl)ethanamine is sourced from PubChem (CID 105007867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).