2-(difluoromethoxy)-3-iodoaniline

C7H6F2INO — CID 118848684

IUPAC2-(difluoromethoxy)-3-iodoaniline
SMILESNc1cccc(I)c1OC(F)F
InChIInChI=1S/C7H6F2INO/c8-7(9)12-6-4(10)2-1-3-5(6)11/h1-3,7H,11H2
InChIKeyBZVYUOXSTXSXOS-UHFFFAOYSA-N
MW285.03 g/mol
LogP2.47
Rot. Bonds2

About 2-(difluoromethoxy)-3-iodoaniline

2-(difluoromethoxy)-3-iodoaniline (PubChem CID 118848684) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-iodoaniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-iodoaniline
PubChem CID118848684
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name2-(difluoromethoxy)-3-iodoaniline
SMILESNc1cccc(I)c1OC(F)F
InChIInChI=1S/C7H6F2INO/c8-7(9)12-6-4(10)2-1-3-5(6)11/h1-3,7H,11H2
InChIKeyBZVYUOXSTXSXOS-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-iodoaniline?
The IUPAC name of 2-(difluoromethoxy)-3-iodoaniline (CID 118848684) is 2-(difluoromethoxy)-3-iodoaniline.
What is the SMILES notation for 2-(difluoromethoxy)-3-iodoaniline?
The canonical SMILES for 2-(difluoromethoxy)-3-iodoaniline is Nc1cccc(I)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-iodoaniline?
The InChIKey is BZVYUOXSTXSXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c8-7(9)12-6-4(10)2-1-3-5(6)11/h1-3,7H,11H2.
What are the key properties of 2-(difluoromethoxy)-3-iodoaniline?
2-(difluoromethoxy)-3-iodoaniline has a molecular weight of 285.03 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-iodoaniline is sourced from PubChem (CID 118848684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).