2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline

C8H6F4IN — CID 166974271

IUPAC2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline
SMILESCc1c(F)c(F)c(N(C)I)c(F)c1F
InChIInChI=1S/C8H6F4IN/c1-3-4(9)6(11)8(14(2)13)7(12)5(3)10/h1-2H3
InChIKeyXTMUQTALLLSJLG-UHFFFAOYSA-N
MW319.04 g/mol
LogP3.34
Rot. Bonds1

About 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline

2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline (PubChem CID 166974271) has the molecular formula C8H6F4IN and a molecular weight of 319.04 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline
PubChem CID166974271
Molecular FormulaC8H6F4IN
Molecular Weight319.04 g/mol
Exact Mass318.95
IUPAC Name2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline
SMILESCc1c(F)c(F)c(N(C)I)c(F)c1F
InChIInChI=1S/C8H6F4IN/c1-3-4(9)6(11)8(14(2)13)7(12)5(3)10/h1-2H3
InChIKeyXTMUQTALLLSJLG-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.04
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline (CID 166974271) is 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline is Cc1c(F)c(F)c(N(C)I)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline?
The InChIKey is XTMUQTALLLSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4IN/c1-3-4(9)6(11)8(14(2)13)7(12)5(3)10/h1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline?
2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline has a molecular weight of 319.04 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-iodo-N,4-dimethylaniline is sourced from PubChem (CID 166974271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).