N-ethyl-2,3,4,5,6-pentafluoroaniline

C8H6F5N — CID 10889182

IUPACN-ethyl-2,3,4,5,6-pentafluoroaniline
SMILESCCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F5N/c1-2-14-8-6(12)4(10)3(9)5(11)7(8)13/h14H,2H2,1H3
InChIKeyASLGZNSJXXGIIC-UHFFFAOYSA-N
MW211.13 g/mol
LogP2.81
Rot. Bonds2

About N-ethyl-2,3,4,5,6-pentafluoroaniline

N-ethyl-2,3,4,5,6-pentafluoroaniline (PubChem CID 10889182) has the molecular formula C8H6F5N and a molecular weight of 211.13 g/mol. Its IUPAC name is N-ethyl-2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound NameN-ethyl-2,3,4,5,6-pentafluoroaniline
PubChem CID10889182
Molecular FormulaC8H6F5N
Molecular Weight211.13 g/mol
Exact Mass211.04
IUPAC NameN-ethyl-2,3,4,5,6-pentafluoroaniline
SMILESCCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F5N/c1-2-14-8-6(12)4(10)3(9)5(11)7(8)13/h14H,2H2,1H3
InChIKeyASLGZNSJXXGIIC-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 52.81
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,4,5,6-pentafluoroaniline?
The IUPAC name of N-ethyl-2,3,4,5,6-pentafluoroaniline (CID 10889182) is N-ethyl-2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for N-ethyl-2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for N-ethyl-2,3,4,5,6-pentafluoroaniline is CCNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-ethyl-2,3,4,5,6-pentafluoroaniline?
The InChIKey is ASLGZNSJXXGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N/c1-2-14-8-6(12)4(10)3(9)5(11)7(8)13/h14H,2H2,1H3.
What are the key properties of N-ethyl-2,3,4,5,6-pentafluoroaniline?
N-ethyl-2,3,4,5,6-pentafluoroaniline has a molecular weight of 211.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 10889182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).