2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol

C14H12BrF2NO — CID 60901542

IUPAC2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1ccc(F)cc1Br)c1cccc(F)c1
InChIInChI=1S/C14H12BrF2NO/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
InChIKeyRKNHEFOLYSRKEH-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.87
Rot. Bonds4

About 2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol

2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol (PubChem CID 60901542) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
PubChem CID60901542
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1ccc(F)cc1Br)c1cccc(F)c1
InChIInChI=1S/C14H12BrF2NO/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
InChIKeyRKNHEFOLYSRKEH-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976
1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
CID 60900314
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol
CID 107606605
4-bromo-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 107798011

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol (CID 60901542) is 2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol is OC(CNc1ccc(F)cc1Br)c1cccc(F)c1.
What is the InChIKey of 2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol?
The InChIKey is RKNHEFOLYSRKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/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-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol?
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol has a molecular weight of 328.16 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 60901542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).