5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C11H13ClFNO — CID 83049940

IUPAC5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2cc(F)c(Cl)cc2C1N
InChIInChI=1S/C11H13ClFNO/c1-2-3-9-11(14)6-4-7(12)8(13)5-10(6)15-9/h4-5,9,11H,2-3,14H2,1H3
InChIKeyARDUSWFRFAWWPG-UHFFFAOYSA-N
MW229.68 g/mol
LogP3.04
Rot. Bonds2

About 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine

5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049940) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049940
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2cc(F)c(Cl)cc2C1N
InChIInChI=1S/C11H13ClFNO/c1-2-3-9-11(14)6-4-7(12)8(13)5-10(6)15-9/h4-5,9,11H,2-3,14H2,1H3
InChIKeyARDUSWFRFAWWPG-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049940) is 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2cc(F)c(Cl)cc2C1N.
What is the InChIKey of 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is ARDUSWFRFAWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-2-3-9-11(14)6-4-7(12)8(13)5-10(6)15-9/h4-5,9,11H,2-3,14H2,1H3.
What are the key properties of 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 229.68 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).