(3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol

C8H8FNO2 — CID 55292857

IUPAC(3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol
SMILESN[C@@H]1COc2c1ccc(F)c2O
InChIInChI=1S/C8H8FNO2/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-2,6,11H,3,10H2/t6-/m1/s1
InChIKeyOTBRCPVAZCJHHC-ZCFIWIBFSA-N
MW169.16 g/mol
LogP0.92
Rot. Bonds

About (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol

(3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol (PubChem CID 55292857) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol.

Molecular Properties

Compound Name(3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol
PubChem CID55292857
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name(3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol
SMILESN[C@@H]1COc2c1ccc(F)c2O
InChIInChI=1S/C8H8FNO2/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-2,6,11H,3,10H2/t6-/m1/s1
InChIKeyOTBRCPVAZCJHHC-ZCFIWIBFSA-N
XLogP0.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol?
The IUPAC name of (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol (CID 55292857) is (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol.
What is the SMILES notation for (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol?
The canonical SMILES for (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol is N[C@@H]1COc2c1ccc(F)c2O.
What is the InChIKey of (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol?
The InChIKey is OTBRCPVAZCJHHC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8FNO2/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-2,6,11H,3,10H2/t6-/m1/s1.
What are the key properties of (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol?
(3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol has a molecular weight of 169.16 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-7-ol is sourced from PubChem (CID 55292857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).