1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine

C13H12BrF2NO — CID 63086501

IUPAC1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C13H12BrF2NO/c1-7(17)4-9-2-3-12(18-9)13-10(14)5-8(15)6-11(13)16/h2-3,5-7H,4,17H2,1H3
InChIKeyYIFZQCICBAAZDK-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.88
Rot. Bonds3

About 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine

1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine (PubChem CID 63086501) has the molecular formula C13H12BrF2NO and a molecular weight of 316.15 g/mol. Its IUPAC name is 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine
PubChem CID63086501
Molecular FormulaC13H12BrF2NO
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C13H12BrF2NO/c1-7(17)4-9-2-3-12(18-9)13-10(14)5-8(15)6-11(13)16/h2-3,5-7H,4,17H2,1H3
InChIKeyYIFZQCICBAAZDK-UHFFFAOYSA-N
XLogP3.88
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine (CID 63086501) is 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine is CC(N)Cc1ccc(-c2c(F)cc(F)cc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine?
The InChIKey is YIFZQCICBAAZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NO/c1-7(17)4-9-2-3-12(18-9)13-10(14)5-8(15)6-11(13)16/h2-3,5-7H,4,17H2,1H3.
What are the key properties of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine?
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine has a molecular weight of 316.15 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 63086501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).