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

C13H12BrF2NO — CID 62632947

IUPAC1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C13H12BrF2NO/c1-2-10(17)11-3-4-12(18-11)13-8(14)5-7(15)6-9(13)16/h3-6,10H,2,17H2,1H3
InChIKeyFARHGKHPUJDUEG-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.40
Rot. Bonds3

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

1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine (PubChem CID 62632947) 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-1-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine
PubChem CID62632947
Molecular FormulaC13H12BrF2NO
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C13H12BrF2NO/c1-2-10(17)11-3-4-12(18-11)13-8(14)5-7(15)6-9(13)16/h3-6,10H,2,17H2,1H3
InChIKeyFARHGKHPUJDUEG-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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-1-amine?
The IUPAC name of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine (CID 62632947) is 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine is CCC(N)c1ccc(-c2c(F)cc(F)cc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine?
The InChIKey is FARHGKHPUJDUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NO/c1-2-10(17)11-3-4-12(18-11)13-8(14)5-7(15)6-9(13)16/h3-6,10H,2,17H2,1H3.
What are the key properties of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine?
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine has a molecular weight of 316.15 g/mol, XLogP of 4.40, 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-1-amine is sourced from PubChem (CID 62632947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).