7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine

C10H11BrFNO — CID 64661221

IUPAC7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2c(Br)cc(F)cc2C1N
InChIInChI=1S/C10H11BrFNO/c1-2-8-9(13)6-3-5(12)4-7(11)10(6)14-8/h3-4,8-9H,2,13H2,1H3
InChIKeyHAUOIWUNAJNABC-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.76
Rot. Bonds1

About 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine

7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64661221) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64661221
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2c(Br)cc(F)cc2C1N
InChIInChI=1S/C10H11BrFNO/c1-2-8-9(13)6-3-5(12)4-7(11)10(6)14-8/h3-4,8-9H,2,13H2,1H3
InChIKeyHAUOIWUNAJNABC-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine (CID 64661221) is 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2c(Br)cc(F)cc2C1N.
What is the InChIKey of 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is HAUOIWUNAJNABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-2-8-9(13)6-3-5(12)4-7(11)10(6)14-8/h3-4,8-9H,2,13H2,1H3.
What are the key properties of 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine?
7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 260.11 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-5-fluoro-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64661221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).