1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol

C15H14F3NO — CID 59993570

IUPAC1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol
SMILESCc1ccc(Nc2c(C(C)O)ccc(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-8-3-6-13(12(17)7-8)19-15-10(9(2)20)4-5-11(16)14(15)18/h3-7,9,19-20H,1-2H3
InChIKeySKKYUITXOQGICM-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.21
Rot. Bonds3

About 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol

1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol (PubChem CID 59993570) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol.

Molecular Properties

Compound Name1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol
PubChem CID59993570
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol
SMILESCc1ccc(Nc2c(C(C)O)ccc(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-8-3-6-13(12(17)7-8)19-15-10(9(2)20)4-5-11(16)14(15)18/h3-7,9,19-20H,1-2H3
InChIKeySKKYUITXOQGICM-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol?
The IUPAC name of 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol (CID 59993570) is 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol.
What is the SMILES notation for 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol?
The canonical SMILES for 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol is Cc1ccc(Nc2c(C(C)O)ccc(F)c2F)c(F)c1.
What is the InChIKey of 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol?
The InChIKey is SKKYUITXOQGICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-8-3-6-13(12(17)7-8)19-15-10(9(2)20)4-5-11(16)14(15)18/h3-7,9,19-20H,1-2H3.
What are the key properties of 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol?
1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol has a molecular weight of 281.28 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanol is sourced from PubChem (CID 59993570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).