2-(fluoromethyl)-5-iodoaniline

C7H7FIN — CID 91883431

IUPAC2-(fluoromethyl)-5-iodoaniline
SMILESNc1cc(I)ccc1CF
InChIInChI=1S/C7H7FIN/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4,10H2
InChIKeyWLZAJEFSUGWZKT-UHFFFAOYSA-N
MW251.04 g/mol
LogP2.34
Rot. Bonds1

About 2-(fluoromethyl)-5-iodoaniline

2-(fluoromethyl)-5-iodoaniline (PubChem CID 91883431) has the molecular formula C7H7FIN and a molecular weight of 251.04 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-iodoaniline.

Molecular Properties

Compound Name2-(fluoromethyl)-5-iodoaniline
PubChem CID91883431
Molecular FormulaC7H7FIN
Molecular Weight251.04 g/mol
Exact Mass250.96
IUPAC Name2-(fluoromethyl)-5-iodoaniline
SMILESNc1cc(I)ccc1CF
InChIInChI=1S/C7H7FIN/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4,10H2
InChIKeyWLZAJEFSUGWZKT-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-iodoaniline?
The IUPAC name of 2-(fluoromethyl)-5-iodoaniline (CID 91883431) is 2-(fluoromethyl)-5-iodoaniline.
What is the SMILES notation for 2-(fluoromethyl)-5-iodoaniline?
The canonical SMILES for 2-(fluoromethyl)-5-iodoaniline is Nc1cc(I)ccc1CF.
What is the InChIKey of 2-(fluoromethyl)-5-iodoaniline?
The InChIKey is WLZAJEFSUGWZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FIN/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4,10H2.
What are the key properties of 2-(fluoromethyl)-5-iodoaniline?
2-(fluoromethyl)-5-iodoaniline has a molecular weight of 251.04 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-iodoaniline is sourced from PubChem (CID 91883431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).