2-[2-(4-fluorophenyl)furan-3-yl]ethanamine

C12H12FNO — CID 82396325

IUPAC2-[2-(4-fluorophenyl)furan-3-yl]ethanamine
SMILESNCCc1ccoc1-c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c13-11-3-1-9(2-4-11)12-10(5-7-14)6-8-15-12/h1-4,6,8H,5,7,14H2
InChIKeyPCCPQMPGIQXGNW-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.59
Rot. Bonds3

About 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine

2-[2-(4-fluorophenyl)furan-3-yl]ethanamine (PubChem CID 82396325) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)furan-3-yl]ethanamine
PubChem CID82396325
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-[2-(4-fluorophenyl)furan-3-yl]ethanamine
SMILESNCCc1ccoc1-c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c13-11-3-1-9(2-4-11)12-10(5-7-14)6-8-15-12/h1-4,6,8H,5,7,14H2
InChIKeyPCCPQMPGIQXGNW-UHFFFAOYSA-N
XLogP2.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine?
The IUPAC name of 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine (CID 82396325) is 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine?
The canonical SMILES for 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine is NCCc1ccoc1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine?
The InChIKey is PCCPQMPGIQXGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-11-3-1-9(2-4-11)12-10(5-7-14)6-8-15-12/h1-4,6,8H,5,7,14H2.
What are the key properties of 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine?
2-[2-(4-fluorophenyl)furan-3-yl]ethanamine has a molecular weight of 205.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)furan-3-yl]ethanamine is sourced from PubChem (CID 82396325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).