2-chloro-3,4,5,6-tetrafluoroaniline

C6H2ClF4N — CID 15531220

IUPAC2-chloro-3,4,5,6-tetrafluoroaniline
SMILESNc1c(F)c(F)c(F)c(F)c1Cl
InChIInChI=1S/C6H2ClF4N/c7-1-2(8)3(9)4(10)5(11)6(1)12/h12H2
InChIKeyDCEVXDRTLUQJSC-UHFFFAOYSA-N
MW199.53 g/mol
LogP2.48
Rot. Bonds

About 2-chloro-3,4,5,6-tetrafluoroaniline

2-chloro-3,4,5,6-tetrafluoroaniline (PubChem CID 15531220) has the molecular formula C6H2ClF4N and a molecular weight of 199.53 g/mol. Its IUPAC name is 2-chloro-3,4,5,6-tetrafluoroaniline.

Molecular Properties

Compound Name2-chloro-3,4,5,6-tetrafluoroaniline
PubChem CID15531220
Molecular FormulaC6H2ClF4N
Molecular Weight199.53 g/mol
Exact Mass198.98
IUPAC Name2-chloro-3,4,5,6-tetrafluoroaniline
SMILESNc1c(F)c(F)c(F)c(F)c1Cl
InChIInChI=1S/C6H2ClF4N/c7-1-2(8)3(9)4(10)5(11)6(1)12/h12H2
InChIKeyDCEVXDRTLUQJSC-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 2-chloro-3,4,5,6-tetrafluoroaniline?
The IUPAC name of 2-chloro-3,4,5,6-tetrafluoroaniline (CID 15531220) is 2-chloro-3,4,5,6-tetrafluoroaniline.
What is the SMILES notation for 2-chloro-3,4,5,6-tetrafluoroaniline?
The canonical SMILES for 2-chloro-3,4,5,6-tetrafluoroaniline is Nc1c(F)c(F)c(F)c(F)c1Cl.
What is the InChIKey of 2-chloro-3,4,5,6-tetrafluoroaniline?
The InChIKey is DCEVXDRTLUQJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF4N/c7-1-2(8)3(9)4(10)5(11)6(1)12/h12H2.
What are the key properties of 2-chloro-3,4,5,6-tetrafluoroaniline?
2-chloro-3,4,5,6-tetrafluoroaniline has a molecular weight of 199.53 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4,5,6-tetrafluoroaniline is sourced from PubChem (CID 15531220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).