2-(4-cyclobutylphenyl)-5-fluoroaniline

C16H16FN — CID 107626896

IUPAC2-(4-cyclobutylphenyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H16FN/c17-14-8-9-15(16(18)10-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3,18H2
InChIKeyPSHAUGXHZJQUCB-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.34
Rot. Bonds2

About 2-(4-cyclobutylphenyl)-5-fluoroaniline

2-(4-cyclobutylphenyl)-5-fluoroaniline (PubChem CID 107626896) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-5-fluoroaniline
PubChem CID107626896
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name2-(4-cyclobutylphenyl)-5-fluoroaniline
SMILESNc1cc(F)ccc1-c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H16FN/c17-14-8-9-15(16(18)10-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3,18H2
InChIKeyPSHAUGXHZJQUCB-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.34
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-(4-cyclobutylphenyl)-5-fluoroaniline?
The IUPAC name of 2-(4-cyclobutylphenyl)-5-fluoroaniline (CID 107626896) is 2-(4-cyclobutylphenyl)-5-fluoroaniline.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-5-fluoroaniline?
The canonical SMILES for 2-(4-cyclobutylphenyl)-5-fluoroaniline is Nc1cc(F)ccc1-c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-5-fluoroaniline?
The InChIKey is PSHAUGXHZJQUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c17-14-8-9-15(16(18)10-14)13-6-4-12(5-7-13)11-2-1-3-11/h4-11H,1-3,18H2.
What are the key properties of 2-(4-cyclobutylphenyl)-5-fluoroaniline?
2-(4-cyclobutylphenyl)-5-fluoroaniline has a molecular weight of 241.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-5-fluoroaniline is sourced from PubChem (CID 107626896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).