1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine

C10H9F2NO — CID 65441126

IUPAC1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1cc2ccc(F)c(F)c2o1
InChIInChI=1S/C10H9F2NO/c1-13-5-7-4-6-2-3-8(11)9(12)10(6)14-7/h2-4,13H,5H2,1H3
InChIKeyVMGHCIAATHXJQU-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.43
Rot. Bonds2

About 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine

1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 65441126) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID65441126
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1cc2ccc(F)c(F)c2o1
InChIInChI=1S/C10H9F2NO/c1-13-5-7-4-6-2-3-8(11)9(12)10(6)14-7/h2-4,13H,5H2,1H3
InChIKeyVMGHCIAATHXJQU-UHFFFAOYSA-N
XLogP2.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 65441126) is 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine is CNCc1cc2ccc(F)c(F)c2o1.
What is the InChIKey of 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is VMGHCIAATHXJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-13-5-7-4-6-2-3-8(11)9(12)10(6)14-7/h2-4,13H,5H2,1H3.
What are the key properties of 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 197.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 65441126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).