3-fluoro-4-iodo-5-methylaniline

C7H7FIN — CID 131425548

IUPAC3-fluoro-4-iodo-5-methylaniline
SMILESCc1cc(N)cc(F)c1I
InChIInChI=1S/C7H7FIN/c1-4-2-5(10)3-6(8)7(4)9/h2-3H,10H2,1H3
InChIKeyYTFJCCJUTRKEEP-UHFFFAOYSA-N
MW251.04 g/mol
LogP2.32
Rot. Bonds

About 3-fluoro-4-iodo-5-methylaniline

3-fluoro-4-iodo-5-methylaniline (PubChem CID 131425548) has the molecular formula C7H7FIN and a molecular weight of 251.04 g/mol. Its IUPAC name is 3-fluoro-4-iodo-5-methylaniline.

Molecular Properties

Compound Name3-fluoro-4-iodo-5-methylaniline
PubChem CID131425548
Molecular FormulaC7H7FIN
Molecular Weight251.04 g/mol
Exact Mass250.96
IUPAC Name3-fluoro-4-iodo-5-methylaniline
SMILESCc1cc(N)cc(F)c1I
InChIInChI=1S/C7H7FIN/c1-4-2-5(10)3-6(8)7(4)9/h2-3H,10H2,1H3
InChIKeyYTFJCCJUTRKEEP-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130883665
ethane;4-fluoro-3-methylaniline
CID 142250330
4-fluoro-3-methylaniline;molecular hydrogen
CID 145121372
1-(4-amino-2-fluoro-6-methylphenyl)-2-bromoethanone
CID 171018038
5-fluoro-1,2-diiodo-3-methylbenzene
CID 119020477
ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine
CID 176951368
4-fluoro-3-methyl-5-(trifluoromethyl)aniline
CID 86277674
2-fluoro-5-iodo-3-methylpyridine;6-fluoro-5-methylpyridin-3-amine
CID 70281554
1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 82506193
4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline
CID 54902859
4-fluoro-2-iodo-6-methylaniline
CID 79018506
5-bromo-3,4-difluoro-2-iodoaniline
CID 171518505

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-iodo-5-methylaniline?
The IUPAC name of 3-fluoro-4-iodo-5-methylaniline (CID 131425548) is 3-fluoro-4-iodo-5-methylaniline.
What is the SMILES notation for 3-fluoro-4-iodo-5-methylaniline?
The canonical SMILES for 3-fluoro-4-iodo-5-methylaniline is Cc1cc(N)cc(F)c1I.
What is the InChIKey of 3-fluoro-4-iodo-5-methylaniline?
The InChIKey is YTFJCCJUTRKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FIN/c1-4-2-5(10)3-6(8)7(4)9/h2-3H,10H2,1H3.
What are the key properties of 3-fluoro-4-iodo-5-methylaniline?
3-fluoro-4-iodo-5-methylaniline has a molecular weight of 251.04 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-5-methylaniline is sourced from PubChem (CID 131425548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).