2-(2,4-difluoroanilino)-1-phenylethanol

C14H13F2NO — CID 60721673

IUPAC2-(2,4-difluoroanilino)-1-phenylethanol
SMILESOC(CNc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H13F2NO/c15-11-6-7-13(12(16)8-11)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2
InChIKeyDTEMGZXWQVCBIZ-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.11
Rot. Bonds4

About 2-(2,4-difluoroanilino)-1-phenylethanol

2-(2,4-difluoroanilino)-1-phenylethanol (PubChem CID 60721673) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-1-phenylethanol.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-1-phenylethanol
PubChem CID60721673
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-(2,4-difluoroanilino)-1-phenylethanol
SMILESOC(CNc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H13F2NO/c15-11-6-7-13(12(16)8-11)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2
InChIKeyDTEMGZXWQVCBIZ-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-1-phenylethanol?
The IUPAC name of 2-(2,4-difluoroanilino)-1-phenylethanol (CID 60721673) is 2-(2,4-difluoroanilino)-1-phenylethanol.
What is the SMILES notation for 2-(2,4-difluoroanilino)-1-phenylethanol?
The canonical SMILES for 2-(2,4-difluoroanilino)-1-phenylethanol is OC(CNc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 2-(2,4-difluoroanilino)-1-phenylethanol?
The InChIKey is DTEMGZXWQVCBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-11-6-7-13(12(16)8-11)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2.
What are the key properties of 2-(2,4-difluoroanilino)-1-phenylethanol?
2-(2,4-difluoroanilino)-1-phenylethanol has a molecular weight of 249.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-1-phenylethanol is sourced from PubChem (CID 60721673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).