2-[5-(trifluoromethyl)furan-2-yl]ethanamine

C7H8F3NO — CID 82409788

IUPAC2-[5-(trifluoromethyl)furan-2-yl]ethanamine
SMILESNCCc1ccc(C(F)(F)F)o1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6-2-1-5(12-6)3-4-11/h1-2H,3-4,11H2
InChIKeyAMXGSQDQTVATFP-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.80
Rot. Bonds2

About 2-[5-(trifluoromethyl)furan-2-yl]ethanamine

2-[5-(trifluoromethyl)furan-2-yl]ethanamine (PubChem CID 82409788) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)furan-2-yl]ethanamine
PubChem CID82409788
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2-[5-(trifluoromethyl)furan-2-yl]ethanamine
SMILESNCCc1ccc(C(F)(F)F)o1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)6-2-1-5(12-6)3-4-11/h1-2H,3-4,11H2
InChIKeyAMXGSQDQTVATFP-UHFFFAOYSA-N
XLogP1.80
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)furan-2-yl]ethanamine?
The IUPAC name of 2-[5-(trifluoromethyl)furan-2-yl]ethanamine (CID 82409788) is 2-[5-(trifluoromethyl)furan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(trifluoromethyl)furan-2-yl]ethanamine?
The canonical SMILES for 2-[5-(trifluoromethyl)furan-2-yl]ethanamine is NCCc1ccc(C(F)(F)F)o1.
What is the InChIKey of 2-[5-(trifluoromethyl)furan-2-yl]ethanamine?
The InChIKey is AMXGSQDQTVATFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)6-2-1-5(12-6)3-4-11/h1-2H,3-4,11H2.
What are the key properties of 2-[5-(trifluoromethyl)furan-2-yl]ethanamine?
2-[5-(trifluoromethyl)furan-2-yl]ethanamine has a molecular weight of 179.14 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)furan-2-yl]ethanamine is sourced from PubChem (CID 82409788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).