2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline

C11H8F2INO — CID 61076991

IUPAC2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESFc1cccc(NCc2ccc(I)o2)c1F
InChIInChI=1S/C11H8F2INO/c12-8-2-1-3-9(11(8)13)15-6-7-4-5-10(14)16-7/h1-5,15H,6H2
InChIKeyGKYOWBUFTGZYQN-UHFFFAOYSA-N
MW335.09 g/mol
LogP3.77
Rot. Bonds3

About 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline

2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline (PubChem CID 61076991) has the molecular formula C11H8F2INO and a molecular weight of 335.09 g/mol. Its IUPAC name is 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
PubChem CID61076991
Molecular FormulaC11H8F2INO
Molecular Weight335.09 g/mol
Exact Mass334.96
IUPAC Name2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESFc1cccc(NCc2ccc(I)o2)c1F
InChIInChI=1S/C11H8F2INO/c12-8-2-1-3-9(11(8)13)15-6-7-4-5-10(14)16-7/h1-5,15H,6H2
InChIKeyGKYOWBUFTGZYQN-UHFFFAOYSA-N
XLogP3.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The IUPAC name of 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline (CID 61076991) is 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline.
What is the SMILES notation for 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The canonical SMILES for 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline is Fc1cccc(NCc2ccc(I)o2)c1F.
What is the InChIKey of 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The InChIKey is GKYOWBUFTGZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2INO/c12-8-2-1-3-9(11(8)13)15-6-7-4-5-10(14)16-7/h1-5,15H,6H2.
What are the key properties of 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline has a molecular weight of 335.09 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline is sourced from PubChem (CID 61076991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).