2,6-ditert-butyl-4-fluoroaniline

C14H22FN — CID 14460942

IUPAC2,6-ditert-butyl-4-fluoroaniline
SMILESCC(C)(C)c1cc(F)cc(C(C)(C)C)c1N
InChIInChI=1S/C14H22FN/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,16H2,1-6H3
InChIKeyBAHYHMXIFQJCSK-UHFFFAOYSA-N
MW223.33 g/mol
LogP4.00
Rot. Bonds

About 2,6-ditert-butyl-4-fluoroaniline

2,6-ditert-butyl-4-fluoroaniline (PubChem CID 14460942) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-fluoroaniline.

Molecular Properties

Compound Name2,6-ditert-butyl-4-fluoroaniline
PubChem CID14460942
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name2,6-ditert-butyl-4-fluoroaniline
SMILESCC(C)(C)c1cc(F)cc(C(C)(C)C)c1N
InChIInChI=1S/C14H22FN/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,16H2,1-6H3
InChIKeyBAHYHMXIFQJCSK-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-fluoroaniline?
The IUPAC name of 2,6-ditert-butyl-4-fluoroaniline (CID 14460942) is 2,6-ditert-butyl-4-fluoroaniline.
What is the SMILES notation for 2,6-ditert-butyl-4-fluoroaniline?
The canonical SMILES for 2,6-ditert-butyl-4-fluoroaniline is CC(C)(C)c1cc(F)cc(C(C)(C)C)c1N.
What is the InChIKey of 2,6-ditert-butyl-4-fluoroaniline?
The InChIKey is BAHYHMXIFQJCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,16H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-fluoroaniline?
2,6-ditert-butyl-4-fluoroaniline has a molecular weight of 223.33 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-fluoroaniline is sourced from PubChem (CID 14460942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).