1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine

C17H16Cl2FNO — CID 11439224

IUPAC1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C17H16Cl2FNO/c1-21(2)9-12-7-10-6-11(20)8-13(17(10)22-12)16-14(18)4-3-5-15(16)19/h3-6,8,12H,7,9H2,1-2H3
InChIKeySPPUMKCXVNYZJY-UHFFFAOYSA-N
MW340.23 g/mol
LogP4.66
Rot. Bonds3

About 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine

1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine (PubChem CID 11439224) has the molecular formula C17H16Cl2FNO and a molecular weight of 340.23 g/mol. Its IUPAC name is 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine
PubChem CID11439224
Molecular FormulaC17H16Cl2FNO
Molecular Weight340.23 g/mol
Exact Mass339.06
IUPAC Name1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C17H16Cl2FNO/c1-21(2)9-12-7-10-6-11(20)8-13(17(10)22-12)16-14(18)4-3-5-15(16)19/h3-6,8,12H,7,9H2,1-2H3
InChIKeySPPUMKCXVNYZJY-UHFFFAOYSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine (CID 11439224) is 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine is CN(C)CC1Cc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine?
The InChIKey is SPPUMKCXVNYZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO/c1-21(2)9-12-7-10-6-11(20)8-13(17(10)22-12)16-14(18)4-3-5-15(16)19/h3-6,8,12H,7,9H2,1-2H3.
What are the key properties of 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine?
1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine has a molecular weight of 340.23 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11439224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).