(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine

C10H9F2NO — CID 62380693

IUPAC(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(CN)oc2c(F)cc(F)cc12
InChIInChI=1S/C10H9F2NO/c1-5-7-2-6(11)3-8(12)10(7)14-9(5)4-13/h2-3H,4,13H2,1H3
InChIKeyWYBCVUMYJKPTTP-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.48
Rot. Bonds1

About (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine

(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 62380693) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID62380693
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(CN)oc2c(F)cc(F)cc12
InChIInChI=1S/C10H9F2NO/c1-5-7-2-6(11)3-8(12)10(7)14-9(5)4-13/h2-3H,4,13H2,1H3
InChIKeyWYBCVUMYJKPTTP-UHFFFAOYSA-N
XLogP2.48
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine (CID 62380693) is (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(CN)oc2c(F)cc(F)cc12.
What is the InChIKey of (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is WYBCVUMYJKPTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-5-7-2-6(11)3-8(12)10(7)14-9(5)4-13/h2-3H,4,13H2,1H3.
What are the key properties of (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine?
(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 197.18 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62380693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).