3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline

C11H8F2INO — CID 43761592

IUPAC3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESFc1ccc(NCc2ccc(I)o2)cc1F
InChIInChI=1S/C11H8F2INO/c12-9-3-1-7(5-10(9)13)15-6-8-2-4-11(14)16-8/h1-5,15H,6H2
InChIKeyGGQYWORVHRIARD-UHFFFAOYSA-N
MW335.09 g/mol
LogP3.77
Rot. Bonds3

About 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline

3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline (PubChem CID 43761592) has the molecular formula C11H8F2INO and a molecular weight of 335.09 g/mol. Its IUPAC name is 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
PubChem CID43761592
Molecular FormulaC11H8F2INO
Molecular Weight335.09 g/mol
Exact Mass334.96
IUPAC Name3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESFc1ccc(NCc2ccc(I)o2)cc1F
InChIInChI=1S/C11H8F2INO/c12-9-3-1-7(5-10(9)13)15-6-8-2-4-11(14)16-8/h1-5,15H,6H2
InChIKeyGGQYWORVHRIARD-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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Related Compounds

4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline
CID 43785700
4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 65469111
2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 115564209
N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline
CID 43785167
2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 61076991
5-[(5-iodofuran-2-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43790112
5-[(5-iodofuran-2-yl)methylamino]-2-methylisoindole-1,3-dione
CID 43759033
N-[(5-iodofuran-2-yl)methyl]-9H-fluoren-2-amine
CID 43759496
1-N-[(5-iodofuran-2-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297515
4-ethylsulfonyl-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43782384
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62809873
2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan
CID 43790228

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The IUPAC name of 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline (CID 43761592) is 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline.
What is the SMILES notation for 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The canonical SMILES for 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline is Fc1ccc(NCc2ccc(I)o2)cc1F.
What is the InChIKey of 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The InChIKey is GGQYWORVHRIARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2INO/c12-9-3-1-7(5-10(9)13)15-6-8-2-4-11(14)16-8/h1-5,15H,6H2.
What are the key properties of 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
3,4-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 3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline is sourced from PubChem (CID 43761592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).