4-fluoro-5-iodo-2-(3-methylphenoxy)aniline

C13H11FINO — CID 66100148

IUPAC4-fluoro-5-iodo-2-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C13H11FINO/c1-8-3-2-4-9(5-8)17-13-6-10(14)11(15)7-12(13)16/h2-7H,16H2,1H3
InChIKeyXZMUBRVPLDAMHB-UHFFFAOYSA-N
MW343.14 g/mol
LogP4.11
Rot. Bonds2

About 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline

4-fluoro-5-iodo-2-(3-methylphenoxy)aniline (PubChem CID 66100148) has the molecular formula C13H11FINO and a molecular weight of 343.14 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(3-methylphenoxy)aniline
PubChem CID66100148
Molecular FormulaC13H11FINO
Molecular Weight343.14 g/mol
Exact Mass342.99
IUPAC Name4-fluoro-5-iodo-2-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C13H11FINO/c1-8-3-2-4-9(5-8)17-13-6-10(14)11(15)7-12(13)16/h2-7H,16H2,1H3
InChIKeyXZMUBRVPLDAMHB-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
4-fluoro-5-iodo-2-[3-(trifluoromethyl)phenoxy]aniline
CID 66100551
3-(2-amino-5-fluoro-4-iodophenoxy)benzonitrile
CID 66102313
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline
CID 63593528
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 66102111
2,4-bis(3-methylphenoxy)aniline
CID 34173748
4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline
CID 66101916
4-fluoro-5-iodo-2-quinolin-3-yloxyaniline
CID 107386951
4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
CID 66100157
4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792433

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline?
The IUPAC name of 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline (CID 66100148) is 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline is Cc1cccc(Oc2cc(F)c(I)cc2N)c1.
What is the InChIKey of 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline?
The InChIKey is XZMUBRVPLDAMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FINO/c1-8-3-2-4-9(5-8)17-13-6-10(14)11(15)7-12(13)16/h2-7H,16H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline?
4-fluoro-5-iodo-2-(3-methylphenoxy)aniline has a molecular weight of 343.14 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-(3-methylphenoxy)aniline is sourced from PubChem (CID 66100148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).