4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol

C15H12Cl2FNO2 — CID 11953024

IUPAC4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol
SMILESNCC1Cc2cc(F)cc(-c3c(Cl)cc(O)cc3Cl)c2O1
InChIInChI=1S/C15H12Cl2FNO2/c16-12-4-9(20)5-13(17)14(12)11-3-8(18)1-7-2-10(6-19)21-15(7)11/h1,3-5,10,20H,2,6,19H2
InChIKeyYRWUTEOKGIRGDA-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.77
Rot. Bonds2

About 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol

4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol (PubChem CID 11953024) has the molecular formula C15H12Cl2FNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol
PubChem CID11953024
Molecular FormulaC15H12Cl2FNO2
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol
SMILESNCC1Cc2cc(F)cc(-c3c(Cl)cc(O)cc3Cl)c2O1
InChIInChI=1S/C15H12Cl2FNO2/c16-12-4-9(20)5-13(17)14(12)11-3-8(18)1-7-2-10(6-19)21-15(7)11/h1,3-5,10,20H,2,6,19H2
InChIKeyYRWUTEOKGIRGDA-UHFFFAOYSA-N
XLogP3.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol?
The IUPAC name of 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol (CID 11953024) is 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol.
What is the SMILES notation for 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol?
The canonical SMILES for 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol is NCC1Cc2cc(F)cc(-c3c(Cl)cc(O)cc3Cl)c2O1.
What is the InChIKey of 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol?
The InChIKey is YRWUTEOKGIRGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2/c16-12-4-9(20)5-13(17)14(12)11-3-8(18)1-7-2-10(6-19)21-15(7)11/h1,3-5,10,20H,2,6,19H2.
What are the key properties of 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol?
4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol has a molecular weight of 328.17 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol is sourced from PubChem (CID 11953024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).