2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline

C11H5F5INO — CID 115564209

IUPAC2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESFc1c(F)c(F)c(NCc2ccc(I)o2)c(F)c1F
InChIInChI=1S/C11H5F5INO/c12-6-7(13)9(15)11(10(16)8(6)14)18-3-4-1-2-5(17)19-4/h1-2,18H,3H2
InChIKeyDVNQAYRBSHBISE-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.19
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline

2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline (PubChem CID 115564209) has the molecular formula C11H5F5INO and a molecular weight of 389.06 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline
PubChem CID115564209
Molecular FormulaC11H5F5INO
Molecular Weight389.06 g/mol
Exact Mass388.93
IUPAC Name2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESFc1c(F)c(F)c(NCc2ccc(I)o2)c(F)c1F
InChIInChI=1S/C11H5F5INO/c12-6-7(13)9(15)11(10(16)8(6)14)18-3-4-1-2-5(17)19-4/h1-2,18H,3H2
InChIKeyDVNQAYRBSHBISE-UHFFFAOYSA-N
XLogP4.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 65469111
2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 61076991
3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43761592
2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 114208979
2-ethyl-N-[(5-iodofuran-2-yl)methyl]-6-methylaniline
CID 54862209
N-[(5-iodofuran-2-yl)methyl]-4-phenylaniline
CID 43785167
[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol
CID 107643965
4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 54968306
2-fluoro-6-[(5-iodofuran-2-yl)methylamino]benzonitrile
CID 43778297
2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43772168
4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline
CID 43785700
4-ethylsulfonyl-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43782384

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline (CID 115564209) is 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline is Fc1c(F)c(F)c(NCc2ccc(I)o2)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The InChIKey is DVNQAYRBSHBISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F5INO/c12-6-7(13)9(15)11(10(16)8(6)14)18-3-4-1-2-5(17)19-4/h1-2,18H,3H2.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline has a molecular weight of 389.06 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline is sourced from PubChem (CID 115564209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).