1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol

C14H11F3INO — CID 79769099

IUPAC1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
SMILESOC(CNc1ccc(F)cc1I)c1c(F)cccc1F
InChIInChI=1S/C14H11F3INO/c15-8-4-5-12(11(18)6-8)19-7-13(20)14-9(16)2-1-3-10(14)17/h1-6,13,19-20H,7H2
InChIKeyGRELTVOVEJZJJL-UHFFFAOYSA-N
MW393.15 g/mol
LogP3.85
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol

1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol (PubChem CID 79769099) has the molecular formula C14H11F3INO and a molecular weight of 393.15 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
PubChem CID79769099
Molecular FormulaC14H11F3INO
Molecular Weight393.15 g/mol
Exact Mass392.98
IUPAC Name1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
SMILESOC(CNc1ccc(F)cc1I)c1c(F)cccc1F
InChIInChI=1S/C14H11F3INO/c15-8-4-5-12(11(18)6-8)19-7-13(20)14-9(16)2-1-3-10(14)17/h1-6,13,19-20H,7H2
InChIKeyGRELTVOVEJZJJL-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
N-[(2,6-difluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768652
2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 60899627
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
CID 107598972
1-(2,6-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811525
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
4-fluoro-2-iodo-N-(2-methylbutyl)aniline
CID 79769161
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
3-chloro-4-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 107807773

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol (CID 79769099) is 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol is OC(CNc1ccc(F)cc1I)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol?
The InChIKey is GRELTVOVEJZJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3INO/c15-8-4-5-12(11(18)6-8)19-7-13(20)14-9(16)2-1-3-10(14)17/h1-6,13,19-20H,7H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol?
1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol has a molecular weight of 393.15 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol is sourced from PubChem (CID 79769099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).