[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol

C13H9F3INO — CID 25157931

IUPAC[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol
SMILESOCc1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C13H9F3INO/c14-9-3-1-7(6-19)13(12(9)16)18-11-4-2-8(17)5-10(11)15/h1-5,18-19H,6H2
InChIKeyIDHXMRISFLCDAF-UHFFFAOYSA-N
MW379.12 g/mol
LogP3.94
Rot. Bonds3

About [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol

[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol (PubChem CID 25157931) has the molecular formula C13H9F3INO and a molecular weight of 379.12 g/mol. Its IUPAC name is [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol.

Molecular Properties

Compound Name[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol
PubChem CID25157931
Molecular FormulaC13H9F3INO
Molecular Weight379.12 g/mol
Exact Mass378.97
IUPAC Name[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol
SMILESOCc1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C13H9F3INO/c14-9-3-1-7(6-19)13(12(9)16)18-11-4-2-8(17)5-10(11)15/h1-5,18-19H,6H2
InChIKeyIDHXMRISFLCDAF-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol?
The IUPAC name of [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol (CID 25157931) is [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol.
What is the SMILES notation for [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol?
The canonical SMILES for [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol is OCc1ccc(F)c(F)c1Nc1ccc(I)cc1F.
What is the InChIKey of [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol?
The InChIKey is IDHXMRISFLCDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3INO/c14-9-3-1-7(6-19)13(12(9)16)18-11-4-2-8(17)5-10(11)15/h1-5,18-19H,6H2.
What are the key properties of [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol?
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol has a molecular weight of 379.12 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]methanol is sourced from PubChem (CID 25157931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).