(5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine

C15H10BrF2NO — CID 43149567

IUPAC(5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H10BrF2NO/c16-10-2-4-13-9(5-10)7-14(20-13)15(19)8-1-3-11(17)12(18)6-8/h1-7,15H,19H2
InChIKeyZKQQIFMOGVWCFI-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.52
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine

(5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine (PubChem CID 43149567) has the molecular formula C15H10BrF2NO and a molecular weight of 338.15 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine
PubChem CID43149567
Molecular FormulaC15H10BrF2NO
Molecular Weight338.15 g/mol
Exact Mass336.99
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H10BrF2NO/c16-10-2-4-13-9(5-10)7-14(20-13)15(19)8-1-3-11(17)12(18)6-8/h1-7,15H,19H2
InChIKeyZKQQIFMOGVWCFI-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)-(3,4-difluorophenyl)methanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine (CID 43149567) is (5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine is NC(c1ccc(F)c(F)c1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine?
The InChIKey is ZKQQIFMOGVWCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO/c16-10-2-4-13-9(5-10)7-14(20-13)15(19)8-1-3-11(17)12(18)6-8/h1-7,15H,19H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(3,4-difluorophenyl)methanamine?
(5-bromo-1-benzofuran-2-yl)-(3,4-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)-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 43149567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).