4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline

C15H14F2IN — CID 23213918

IUPAC4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline
SMILESFc1ccc(N(CCCI)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14F2IN/c16-12-2-6-14(7-3-12)19(11-1-10-18)15-8-4-13(17)5-9-15/h2-9H,1,10-11H2
InChIKeyXZQPIGJSJWJBBD-UHFFFAOYSA-N
MW373.18 g/mol
LogP4.93
Rot. Bonds5

About 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline

4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline (PubChem CID 23213918) has the molecular formula C15H14F2IN and a molecular weight of 373.18 g/mol. Its IUPAC name is 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline
PubChem CID23213918
Molecular FormulaC15H14F2IN
Molecular Weight373.18 g/mol
Exact Mass373.01
IUPAC Name4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline
SMILESFc1ccc(N(CCCI)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14F2IN/c16-12-2-6-14(7-3-12)19(11-1-10-18)15-8-4-13(17)5-9-15/h2-9H,1,10-11H2
InChIKeyXZQPIGJSJWJBBD-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.18
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline?
The IUPAC name of 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline (CID 23213918) is 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline.
What is the SMILES notation for 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline?
The canonical SMILES for 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline is Fc1ccc(N(CCCI)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline?
The InChIKey is XZQPIGJSJWJBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2IN/c16-12-2-6-14(7-3-12)19(11-1-10-18)15-8-4-13(17)5-9-15/h2-9H,1,10-11H2.
What are the key properties of 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline?
4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline has a molecular weight of 373.18 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline is sourced from PubChem (CID 23213918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).