2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine

C12H11F2NO — CID 54775836

IUPAC2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine
SMILESNCCc1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C12H11F2NO/c13-8-1-3-10(11(14)7-8)12-4-2-9(16-12)5-6-15/h1-4,7H,5-6,15H2
InChIKeyAXNDHMDEXHQQCD-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.73
Rot. Bonds3

About 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine

2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine (PubChem CID 54775836) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine
PubChem CID54775836
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine
SMILESNCCc1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C12H11F2NO/c13-8-1-3-10(11(14)7-8)12-4-2-9(16-12)5-6-15/h1-4,7H,5-6,15H2
InChIKeyAXNDHMDEXHQQCD-UHFFFAOYSA-N
XLogP2.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine?
The IUPAC name of 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine (CID 54775836) is 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine is NCCc1ccc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine?
The InChIKey is AXNDHMDEXHQQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-8-1-3-10(11(14)7-8)12-4-2-9(16-12)5-6-15/h1-4,7H,5-6,15H2.
What are the key properties of 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine?
2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine has a molecular weight of 223.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)furan-2-yl]ethanamine is sourced from PubChem (CID 54775836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).