2-fluoro-N-[(4-iodophenyl)methyl]aniline

C13H11FIN — CID 65477560

IUPAC2-fluoro-N-[(4-iodophenyl)methyl]aniline
SMILESFc1ccccc1NCc1ccc(I)cc1
InChIInChI=1S/C13H11FIN/c14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10/h1-8,16H,9H2
InChIKeyLTNKIYCLPRVMSU-UHFFFAOYSA-N
MW327.14 g/mol
LogP4.04
Rot. Bonds3

About 2-fluoro-N-[(4-iodophenyl)methyl]aniline

2-fluoro-N-[(4-iodophenyl)methyl]aniline (PubChem CID 65477560) has the molecular formula C13H11FIN and a molecular weight of 327.14 g/mol. Its IUPAC name is 2-fluoro-N-[(4-iodophenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(4-iodophenyl)methyl]aniline
PubChem CID65477560
Molecular FormulaC13H11FIN
Molecular Weight327.14 g/mol
Exact Mass326.99
IUPAC Name2-fluoro-N-[(4-iodophenyl)methyl]aniline
SMILESFc1ccccc1NCc1ccc(I)cc1
InChIInChI=1S/C13H11FIN/c14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10/h1-8,16H,9H2
InChIKeyLTNKIYCLPRVMSU-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-iodophenyl)methyl]aniline?
The IUPAC name of 2-fluoro-N-[(4-iodophenyl)methyl]aniline (CID 65477560) is 2-fluoro-N-[(4-iodophenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(4-iodophenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-[(4-iodophenyl)methyl]aniline is Fc1ccccc1NCc1ccc(I)cc1.
What is the InChIKey of 2-fluoro-N-[(4-iodophenyl)methyl]aniline?
The InChIKey is LTNKIYCLPRVMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FIN/c14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10/h1-8,16H,9H2.
What are the key properties of 2-fluoro-N-[(4-iodophenyl)methyl]aniline?
2-fluoro-N-[(4-iodophenyl)methyl]aniline has a molecular weight of 327.14 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-iodophenyl)methyl]aniline is sourced from PubChem (CID 65477560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).