N-fluoro-4-(4-methylphenyl)aniline

C13H12FN — CID 156821673

IUPACN-fluoro-4-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(NF)cc2)cc1
InChIInChI=1S/C13H12FN/c1-10-2-4-11(5-3-10)12-6-8-13(15-14)9-7-12/h2-9,15H,1H3
InChIKeyLLMPKGFIINDHLP-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.96
Rot. Bonds2

About N-fluoro-4-(4-methylphenyl)aniline

N-fluoro-4-(4-methylphenyl)aniline (PubChem CID 156821673) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is N-fluoro-4-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-fluoro-4-(4-methylphenyl)aniline
PubChem CID156821673
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC NameN-fluoro-4-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(NF)cc2)cc1
InChIInChI=1S/C13H12FN/c1-10-2-4-11(5-3-10)12-6-8-13(15-14)9-7-12/h2-9,15H,1H3
InChIKeyLLMPKGFIINDHLP-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-(4-methylphenyl)aniline?
The IUPAC name of N-fluoro-4-(4-methylphenyl)aniline (CID 156821673) is N-fluoro-4-(4-methylphenyl)aniline.
What is the SMILES notation for N-fluoro-4-(4-methylphenyl)aniline?
The canonical SMILES for N-fluoro-4-(4-methylphenyl)aniline is Cc1ccc(-c2ccc(NF)cc2)cc1.
What is the InChIKey of N-fluoro-4-(4-methylphenyl)aniline?
The InChIKey is LLMPKGFIINDHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-10-2-4-11(5-3-10)12-6-8-13(15-14)9-7-12/h2-9,15H,1H3.
What are the key properties of N-fluoro-4-(4-methylphenyl)aniline?
N-fluoro-4-(4-methylphenyl)aniline has a molecular weight of 201.24 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-(4-methylphenyl)aniline is sourced from PubChem (CID 156821673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).