2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol

C15H15F2NO — CID 60721085

IUPAC2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
SMILESCc1cc(F)ccc1NCC(O)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO/c1-10-8-13(17)6-7-14(10)18-9-15(19)11-2-4-12(16)5-3-11/h2-8,15,18-19H,9H2,1H3
InChIKeyJAYAGZKLHLMHLI-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.42
Rot. Bonds4

About 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol

2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol (PubChem CID 60721085) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
PubChem CID60721085
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
SMILESCc1cc(F)ccc1NCC(O)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO/c1-10-8-13(17)6-7-14(10)18-9-15(19)11-2-4-12(16)5-3-11/h2-8,15,18-19H,9H2,1H3
InChIKeyJAYAGZKLHLMHLI-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol (CID 60721085) is 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol is Cc1cc(F)ccc1NCC(O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol?
The InChIKey is JAYAGZKLHLMHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-8-13(17)6-7-14(10)18-9-15(19)11-2-4-12(16)5-3-11/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol?
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol has a molecular weight of 263.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 60721085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).