4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline

C9H11FINOS — CID 66101554

IUPAC4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline
SMILESCOCCSc1cc(F)c(I)cc1N
InChIInChI=1S/C9H11FINOS/c1-13-2-3-14-9-4-6(10)7(11)5-8(9)12/h4-5H,2-3,12H2,1H3
InChIKeyNVXFYUVEYIIPLY-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.75
Rot. Bonds4

About 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline

4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline (PubChem CID 66101554) has the molecular formula C9H11FINOS and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline
PubChem CID66101554
Molecular FormulaC9H11FINOS
Molecular Weight327.16 g/mol
Exact Mass326.96
IUPAC Name4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline
SMILESCOCCSc1cc(F)c(I)cc1N
InChIInChI=1S/C9H11FINOS/c1-13-2-3-14-9-4-6(10)7(11)5-8(9)12/h4-5H,2-3,12H2,1H3
InChIKeyNVXFYUVEYIIPLY-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-amino-5-fluoro-4-iodophenyl)sulfanylacetate
CID 66102332
4-fluoro-5-iodo-2-(1-methoxypropan-2-yloxy)aniline
CID 66099971
4-fluoro-5-iodo-2-(3-methylbutan-2-ylsulfanyl)aniline
CID 107747945
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
3-amino-4-(2-methoxyethylsulfanyl)benzamide
CID 43448635
2-(3-methoxypropylsulfanyl)-4-methylaniline
CID 79142732
4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine
CID 66099739
2-ethylsulfanyl-4,5-difluoroaniline
CID 130536650
4-chloro-2-(3-methoxypropylsulfanyl)aniline
CID 79527904
2-(2-ethoxyethoxy)-4-fluoro-5-iodoaniline
CID 66100153
2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline
CID 103482663
4-fluoro-5-iodo-2-(3-methylbutoxy)aniline
CID 66100154

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline?
The IUPAC name of 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline (CID 66101554) is 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline is COCCSc1cc(F)c(I)cc1N.
What is the InChIKey of 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline?
The InChIKey is NVXFYUVEYIIPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FINOS/c1-13-2-3-14-9-4-6(10)7(11)5-8(9)12/h4-5H,2-3,12H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline?
4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline has a molecular weight of 327.16 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-(2-methoxyethylsulfanyl)aniline is sourced from PubChem (CID 66101554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).