(5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine

C15H10BrF2NO — CID 43149562

IUPAC(5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine
SMILESNC(c1cc2cc(Br)ccc2o1)c1cc(F)ccc1F
InChIInChI=1S/C15H10BrF2NO/c16-9-1-4-13-8(5-9)6-14(20-13)15(19)11-7-10(17)2-3-12(11)18/h1-7,15H,19H2
InChIKeyCNEFHPBOBBHCDK-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.52
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine

(5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine (PubChem CID 43149562) has the molecular formula C15H10BrF2NO and a molecular weight of 338.15 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine
PubChem CID43149562
Molecular FormulaC15H10BrF2NO
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine
SMILESNC(c1cc2cc(Br)ccc2o1)c1cc(F)ccc1F
InChIInChI=1S/C15H10BrF2NO/c16-9-1-4-13-8(5-9)6-14(20-13)15(19)11-7-10(17)2-3-12(11)18/h1-7,15H,19H2
InChIKeyCNEFHPBOBBHCDK-UHFFFAOYSA-N
XLogP4.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine (CID 43149562) is (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine is NC(c1cc2cc(Br)ccc2o1)c1cc(F)ccc1F.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine?
The InChIKey is CNEFHPBOBBHCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO/c16-9-1-4-13-8(5-9)6-14(20-13)15(19)11-7-10(17)2-3-12(11)18/h1-7,15H,19H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine?
(5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine has a molecular weight of 338.15 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-(2,5-difluorophenyl)methanamine is sourced from PubChem (CID 43149562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).