2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol

C14H11ClF3NO — CID 83081976

IUPAC2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1c(F)cc(F)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H11ClF3NO/c15-11-5-10(17)6-12(18)14(11)19-7-13(20)8-2-1-3-9(16)4-8/h1-6,13,19-20H,7H2
InChIKeyZKGJSHLUBXFTIG-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol

2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol (PubChem CID 83081976) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
PubChem CID83081976
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
SMILESOC(CNc1c(F)cc(F)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H11ClF3NO/c15-11-5-10(17)6-12(18)14(11)19-7-13(20)8-2-1-3-9(16)4-8/h1-6,13,19-20H,7H2
InChIKeyZKGJSHLUBXFTIG-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
2-(2-chloro-4-iodoanilino)-1-(3-fluorophenyl)ethanol
CID 107606605
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol
CID 107611576
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
1-(3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 60900339
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol (CID 83081976) is 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol is OC(CNc1c(F)cc(F)cc1Cl)c1cccc(F)c1.
What is the InChIKey of 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol?
The InChIKey is ZKGJSHLUBXFTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-11-5-10(17)6-12(18)14(11)19-7-13(20)8-2-1-3-9(16)4-8/h1-6,13,19-20H,7H2.
What are the key properties of 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol?
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol has a molecular weight of 301.70 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 83081976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).