2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol

C15H14F3NO — CID 79049466

IUPAC2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
SMILESCc1cc(F)cc(NC(CO)c2cccc(F)c2F)c1
InChIInChI=1S/C15H14F3NO/c1-9-5-10(16)7-11(6-9)19-14(8-20)12-3-2-4-13(17)15(12)18/h2-7,14,19-20H,8H2,1H3
InChIKeyFNHZNASGDJVZLQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.56
Rot. Bonds4

About 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol

2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol (PubChem CID 79049466) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
PubChem CID79049466
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
SMILESCc1cc(F)cc(NC(CO)c2cccc(F)c2F)c1
InChIInChI=1S/C15H14F3NO/c1-9-5-10(16)7-11(6-9)19-14(8-20)12-3-2-4-13(17)15(12)18/h2-7,14,19-20H,8H2,1H3
InChIKeyFNHZNASGDJVZLQ-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050493
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(5-bromo-2-fluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050260
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 79049542
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049935
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 79050588
2-(1-benzothiophen-3-yl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79046382

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol (CID 79049466) is 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol is Cc1cc(F)cc(NC(CO)c2cccc(F)c2F)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The InChIKey is FNHZNASGDJVZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9-5-10(16)7-11(6-9)19-14(8-20)12-3-2-4-13(17)15(12)18/h2-7,14,19-20H,8H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol has a molecular weight of 281.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol is sourced from PubChem (CID 79049466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).