3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol

C14H11F2NO2 — CID 43123932

IUPAC3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2Nc1c(F)cccc1F
InChIInChI=1S/C14H11F2NO2/c15-10-2-1-3-11(16)14(10)17-12-7-19-13-6-8(18)4-5-9(12)13/h1-6,12,17-18H,7H2
InChIKeyFHAZCQUATZCCJB-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.22
Rot. Bonds2

About 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol

3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43123932) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43123932
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2Nc1c(F)cccc1F
InChIInChI=1S/C14H11F2NO2/c15-10-2-1-3-11(16)14(10)17-12-7-19-13-6-8(18)4-5-9(12)13/h1-6,12,17-18H,7H2
InChIKeyFHAZCQUATZCCJB-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Sdccgsbi-0114796.P001
CID 44522104
(2,4-Dimethoxybenzyl)(3-fluorophenyl)amine
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2-[(2-Fluoroanilino)methyl]-5-[(4-fluorophenyl)methoxy]phenol
CID 172445389
2-(Anilinomethyl)-5-[(4-methylphenyl)methoxy]phenol
CID 172449936
2-(Anilinomethyl)-5-[(3,4-difluorophenyl)methoxy]phenol
CID 172451756
2-(Anilinomethyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]phenol
CID 172455752
2-(Anilinomethyl)-5-phenylmethoxyphenol
CID 172464058
5-[(4-Fluorophenyl)methoxy]-2-[(3-hydroxyanilino)methyl]phenol
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6-(1-Anilinoethyl)-2,2-dimethyl-chromen-7-ol
CID 86576983

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 43123932) is 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2Nc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is FHAZCQUATZCCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-10-2-1-3-11(16)14(10)17-12-7-19-13-6-8(18)4-5-9(12)13/h1-6,12,17-18H,7H2.
What are the key properties of 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 263.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoroanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43123932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).