2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol

C14H12ClFINO — CID 107606605

IUPAC2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1ccc(I)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12ClFINO/c15-12-7-11(17)4-5-13(12)18-8-14(19)9-2-1-3-10(16)6-9/h1-7,14,18-19H,8H2
InChIKeyPYTCHESPIHZNNB-UHFFFAOYSA-N
MW391.61 g/mol
LogP4.23
Rot. Bonds4

About 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol

2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol (PubChem CID 107606605) has the molecular formula C14H12ClFINO and a molecular weight of 391.61 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol
PubChem CID107606605
Molecular FormulaC14H12ClFINO
Molecular Weight391.61 g/mol
Exact Mass390.96
IUPAC Name2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1ccc(I)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12ClFINO/c15-12-7-11(17)4-5-13(12)18-8-14(19)9-2-1-3-10(16)6-9/h1-7,14,18-19H,8H2
InChIKeyPYTCHESPIHZNNB-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.61
LogP ≤ 54.23
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-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 107606651
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
1-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-iodoanilino)ethanol
CID 107606301
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol (CID 107606605) is 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol is OC(CNc1ccc(I)cc1Cl)c1cccc(F)c1.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol?
The InChIKey is PYTCHESPIHZNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFINO/c15-12-7-11(17)4-5-13(12)18-8-14(19)9-2-1-3-10(16)6-9/h1-7,14,18-19H,8H2.
What are the key properties of 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol?
2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol has a molecular weight of 391.61 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 107606605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).