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

C14H13FINO — CID 60900233

IUPAC1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
SMILESOC(CNc1ccccc1I)c1cccc(F)c1
InChIInChI=1S/C14H13FINO/c15-11-5-3-4-10(8-11)14(18)9-17-13-7-2-1-6-12(13)16/h1-8,14,17-18H,9H2
InChIKeyBGQVVRJPBQBNTA-UHFFFAOYSA-N
MW357.17 g/mol
LogP3.58
Rot. Bonds4

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

1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol (PubChem CID 60900233) has the molecular formula C14H13FINO and a molecular weight of 357.17 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
PubChem CID60900233
Molecular FormulaC14H13FINO
Molecular Weight357.17 g/mol
Exact Mass357.00
IUPAC Name1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
SMILESOC(CNc1ccccc1I)c1cccc(F)c1
InChIInChI=1S/C14H13FINO/c15-11-5-3-4-10(8-11)14(18)9-17-13-7-2-1-6-12(13)16/h1-8,14,17-18H,9H2
InChIKeyBGQVVRJPBQBNTA-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 53.58
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-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol
CID 107606605
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol (CID 60900233) is 1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol is OC(CNc1ccccc1I)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol?
The InChIKey is BGQVVRJPBQBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO/c15-11-5-3-4-10(8-11)14(18)9-17-13-7-2-1-6-12(13)16/h1-8,14,17-18H,9H2.
What are the key properties of 1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol?
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol has a molecular weight of 357.17 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol is sourced from PubChem (CID 60900233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).