(5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid

C10H9BrFNO3 — CID 90190579

IUPAC(5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid
SMILESCN(C(=O)O)C1Cc2cc(Br)cc(F)c2O1
InChIInChI=1S/C10H9BrFNO3/c1-13(10(14)15)8-3-5-2-6(11)4-7(12)9(5)16-8/h2,4,8H,3H2,1H3,(H,14,15)
InChIKeyPBVPQEOMPLUHLR-UHFFFAOYSA-N
MW290.09 g/mol
LogP2.46
Rot. Bonds1

About (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid

(5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid (PubChem CID 90190579) has the molecular formula C10H9BrFNO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid
PubChem CID90190579
Molecular FormulaC10H9BrFNO3
Molecular Weight290.09 g/mol
Exact Mass288.97
IUPAC Name(5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid
SMILESCN(C(=O)O)C1Cc2cc(Br)cc(F)c2O1
InChIInChI=1S/C10H9BrFNO3/c1-13(10(14)15)8-3-5-2-6(11)4-7(12)9(5)16-8/h2,4,8H,3H2,1H3,(H,14,15)
InChIKeyPBVPQEOMPLUHLR-UHFFFAOYSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid?
The IUPAC name of (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid (CID 90190579) is (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid.
What is the SMILES notation for (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid?
The canonical SMILES for (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid is CN(C(=O)O)C1Cc2cc(Br)cc(F)c2O1.
What is the InChIKey of (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid?
The InChIKey is PBVPQEOMPLUHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO3/c1-13(10(14)15)8-3-5-2-6(11)4-7(12)9(5)16-8/h2,4,8H,3H2,1H3,(H,14,15).
What are the key properties of (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid?
(5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid has a molecular weight of 290.09 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-fluoro-2,3-dihydro-1-benzofuran-2-yl)-methylcarbamic acid is sourced from PubChem (CID 90190579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).