2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol

C14H11F4NO — CID 61074855

IUPAC2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNc1cccc(F)c1F)c1c(F)cccc1F
InChIInChI=1S/C14H11F4NO/c15-8-3-1-4-9(16)13(8)12(20)7-19-11-6-2-5-10(17)14(11)18/h1-6,12,19-20H,7H2
InChIKeyTVBJSAKUXYIKDV-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.39
Rot. Bonds4

About 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol

2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol (PubChem CID 61074855) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
PubChem CID61074855
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNc1cccc(F)c1F)c1c(F)cccc1F
InChIInChI=1S/C14H11F4NO/c15-8-3-1-4-9(16)13(8)12(20)7-19-11-6-2-5-10(17)14(11)18/h1-6,12,19-20H,7H2
InChIKeyTVBJSAKUXYIKDV-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629
1-(2,6-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811525
1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
CID 79769099
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-6-methylbenzonitrile
CID 107804357
2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
CID 107598972
2-(2-chloro-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 60899627
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
3-chloro-4-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 107807773
1-(2,3-difluoroanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 61074852
2-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 63489722
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
1-(2,6-difluorophenyl)-2-(2-methylpentan-2-ylamino)ethanol
CID 115609626

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol (CID 61074855) is 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol is OC(CNc1cccc(F)c1F)c1c(F)cccc1F.
What is the InChIKey of 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is TVBJSAKUXYIKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-8-3-1-4-9(16)13(8)12(20)7-19-11-6-2-5-10(17)14(11)18/h1-6,12,19-20H,7H2.
What are the key properties of 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol?
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol has a molecular weight of 285.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 61074855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).