2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine

C7H8F3NO — CID 4961897

IUPAC2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccco1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)5-11-4-6-2-1-3-12-6/h1-3,11H,4-5H2
InChIKeyXTJFHYAWTNYDNF-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.93
Rot. Bonds3

About 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine

2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine (PubChem CID 4961897) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine
PubChem CID4961897
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccco1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)5-11-4-6-2-1-3-12-6/h1-3,11H,4-5H2
InChIKeyXTJFHYAWTNYDNF-UHFFFAOYSA-N
XLogP1.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine (CID 4961897) is 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine is FC(F)(F)CNCc1ccco1.
What is the InChIKey of 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is XTJFHYAWTNYDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)5-11-4-6-2-1-3-12-6/h1-3,11H,4-5H2.
What are the key properties of 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 179.14 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 4961897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).