4-tert-butyl-2-fluoroaniline

C10H14FN — CID 10464690

IUPAC4-tert-butyl-2-fluoroaniline
SMILESCC(C)(C)c1ccc(N)c(F)c1
InChIInChI=1S/C10H14FN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3
InChIKeyBKDLIDXUWLWPSD-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.71
Rot. Bonds

About 4-tert-butyl-2-fluoroaniline

4-tert-butyl-2-fluoroaniline (PubChem CID 10464690) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoroaniline.

Molecular Properties

Compound Name4-tert-butyl-2-fluoroaniline
PubChem CID10464690
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-tert-butyl-2-fluoroaniline
SMILESCC(C)(C)c1ccc(N)c(F)c1
InChIInChI=1S/C10H14FN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3
InChIKeyBKDLIDXUWLWPSD-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.71
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 4-tert-butyl-2-fluoroaniline?
The IUPAC name of 4-tert-butyl-2-fluoroaniline (CID 10464690) is 4-tert-butyl-2-fluoroaniline.
What is the SMILES notation for 4-tert-butyl-2-fluoroaniline?
The canonical SMILES for 4-tert-butyl-2-fluoroaniline is CC(C)(C)c1ccc(N)c(F)c1.
What is the InChIKey of 4-tert-butyl-2-fluoroaniline?
The InChIKey is BKDLIDXUWLWPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3.
What are the key properties of 4-tert-butyl-2-fluoroaniline?
4-tert-butyl-2-fluoroaniline has a molecular weight of 167.23 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoroaniline is sourced from PubChem (CID 10464690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).