4-fluoro-N-(3-phenylcyclobutyl)aniline

C16H16FN — CID 43632156

IUPAC4-fluoro-N-(3-phenylcyclobutyl)aniline
SMILESFc1ccc(NC2CC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H16FN/c17-14-6-8-15(9-7-14)18-16-10-13(11-16)12-4-2-1-3-5-12/h1-9,13,16,18H,10-11H2
InChIKeyUKICUFAWFUQOIE-UHFFFAOYSA-N
MW241.31 g/mol
LogP4.18
Rot. Bonds3

About 4-fluoro-N-(3-phenylcyclobutyl)aniline

4-fluoro-N-(3-phenylcyclobutyl)aniline (PubChem CID 43632156) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-fluoro-N-(3-phenylcyclobutyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(3-phenylcyclobutyl)aniline
PubChem CID43632156
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name4-fluoro-N-(3-phenylcyclobutyl)aniline
SMILESFc1ccc(NC2CC(c3ccccc3)C2)cc1
InChIInChI=1S/C16H16FN/c17-14-6-8-15(9-7-14)18-16-10-13(11-16)12-4-2-1-3-5-12/h1-9,13,16,18H,10-11H2
InChIKeyUKICUFAWFUQOIE-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-phenylcyclobutyl)aniline?
The IUPAC name of 4-fluoro-N-(3-phenylcyclobutyl)aniline (CID 43632156) is 4-fluoro-N-(3-phenylcyclobutyl)aniline.
What is the SMILES notation for 4-fluoro-N-(3-phenylcyclobutyl)aniline?
The canonical SMILES for 4-fluoro-N-(3-phenylcyclobutyl)aniline is Fc1ccc(NC2CC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-fluoro-N-(3-phenylcyclobutyl)aniline?
The InChIKey is UKICUFAWFUQOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c17-14-6-8-15(9-7-14)18-16-10-13(11-16)12-4-2-1-3-5-12/h1-9,13,16,18H,10-11H2.
What are the key properties of 4-fluoro-N-(3-phenylcyclobutyl)aniline?
4-fluoro-N-(3-phenylcyclobutyl)aniline has a molecular weight of 241.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-phenylcyclobutyl)aniline is sourced from PubChem (CID 43632156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).