N-ethyl-2,3,5,6-tetrafluoroaniline

C8H7F4N — CID 107643264

IUPACN-ethyl-2,3,5,6-tetrafluoroaniline
SMILESCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H7F4N/c1-2-13-8-6(11)4(9)3-5(10)7(8)12/h3,13H,2H2,1H3
InChIKeyDJSCFUJEXSRHCY-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.67
Rot. Bonds2

About N-ethyl-2,3,5,6-tetrafluoroaniline

N-ethyl-2,3,5,6-tetrafluoroaniline (PubChem CID 107643264) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is N-ethyl-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound NameN-ethyl-2,3,5,6-tetrafluoroaniline
PubChem CID107643264
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC NameN-ethyl-2,3,5,6-tetrafluoroaniline
SMILESCCNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H7F4N/c1-2-13-8-6(11)4(9)3-5(10)7(8)12/h3,13H,2H2,1H3
InChIKeyDJSCFUJEXSRHCY-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,5,6-tetrafluoroaniline?
The IUPAC name of N-ethyl-2,3,5,6-tetrafluoroaniline (CID 107643264) is N-ethyl-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for N-ethyl-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for N-ethyl-2,3,5,6-tetrafluoroaniline is CCNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-ethyl-2,3,5,6-tetrafluoroaniline?
The InChIKey is DJSCFUJEXSRHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c1-2-13-8-6(11)4(9)3-5(10)7(8)12/h3,13H,2H2,1H3.
What are the key properties of N-ethyl-2,3,5,6-tetrafluoroaniline?
N-ethyl-2,3,5,6-tetrafluoroaniline has a molecular weight of 193.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 107643264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).