3-chloro-2-fluoro-4-iodoaniline

C6H4ClFIN — CID 129201790

IUPAC3-chloro-2-fluoro-4-iodoaniline
SMILESNc1ccc(I)c(Cl)c1F
InChIInChI=1S/C6H4ClFIN/c7-5-3(9)1-2-4(10)6(5)8/h1-2H,10H2
InChIKeyQJJHECBUOCWQLT-UHFFFAOYSA-N
MW271.46 g/mol
LogP2.67
Rot. Bonds

About 3-chloro-2-fluoro-4-iodoaniline

3-chloro-2-fluoro-4-iodoaniline (PubChem CID 129201790) has the molecular formula C6H4ClFIN and a molecular weight of 271.46 g/mol. Its IUPAC name is 3-chloro-2-fluoro-4-iodoaniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-4-iodoaniline
PubChem CID129201790
Molecular FormulaC6H4ClFIN
Molecular Weight271.46 g/mol
Exact Mass270.91
IUPAC Name3-chloro-2-fluoro-4-iodoaniline
SMILESNc1ccc(I)c(Cl)c1F
InChIInChI=1S/C6H4ClFIN/c7-5-3(9)1-2-4(10)6(5)8/h1-2H,10H2
InChIKeyQJJHECBUOCWQLT-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-4-iodoaniline?
The IUPAC name of 3-chloro-2-fluoro-4-iodoaniline (CID 129201790) is 3-chloro-2-fluoro-4-iodoaniline.
What is the SMILES notation for 3-chloro-2-fluoro-4-iodoaniline?
The canonical SMILES for 3-chloro-2-fluoro-4-iodoaniline is Nc1ccc(I)c(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-4-iodoaniline?
The InChIKey is QJJHECBUOCWQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFIN/c7-5-3(9)1-2-4(10)6(5)8/h1-2H,10H2.
What are the key properties of 3-chloro-2-fluoro-4-iodoaniline?
3-chloro-2-fluoro-4-iodoaniline has a molecular weight of 271.46 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-4-iodoaniline is sourced from PubChem (CID 129201790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).