4-fluoro-N-hexylaniline

C12H18FN — CID 10932354

IUPAC4-fluoro-N-hexylaniline
SMILESCCCCCCNc1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,14H,2-5,10H2,1H3
InChIKeyNDWGKQWEXQXDGG-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.82
Rot. Bonds6

About 4-fluoro-N-hexylaniline

4-fluoro-N-hexylaniline (PubChem CID 10932354) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-fluoro-N-hexylaniline.

Molecular Properties

Compound Name4-fluoro-N-hexylaniline
PubChem CID10932354
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name4-fluoro-N-hexylaniline
SMILESCCCCCCNc1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,14H,2-5,10H2,1H3
InChIKeyNDWGKQWEXQXDGG-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hexylaniline?
The IUPAC name of 4-fluoro-N-hexylaniline (CID 10932354) is 4-fluoro-N-hexylaniline.
What is the SMILES notation for 4-fluoro-N-hexylaniline?
The canonical SMILES for 4-fluoro-N-hexylaniline is CCCCCCNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-hexylaniline?
The InChIKey is NDWGKQWEXQXDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,14H,2-5,10H2,1H3.
What are the key properties of 4-fluoro-N-hexylaniline?
4-fluoro-N-hexylaniline has a molecular weight of 195.28 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hexylaniline is sourced from PubChem (CID 10932354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).