N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine

C8H10F3NO — CID 66466796

IUPACN-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine
SMILESCCNC(c1ccoc1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-12-7(8(9,10)11)6-3-4-13-5-6/h3-5,7,12H,2H2,1H3
InChIKeyFODOGWUSWVOWIB-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.49
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine

N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine (PubChem CID 66466796) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine
PubChem CID66466796
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine
SMILESCCNC(c1ccoc1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-12-7(8(9,10)11)6-3-4-13-5-6/h3-5,7,12H,2H2,1H3
InChIKeyFODOGWUSWVOWIB-UHFFFAOYSA-N
XLogP2.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine (CID 66466796) is N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine is CCNC(c1ccoc1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine?
The InChIKey is FODOGWUSWVOWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-2-12-7(8(9,10)11)6-3-4-13-5-6/h3-5,7,12H,2H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine has a molecular weight of 193.17 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(furan-3-yl)ethanamine is sourced from PubChem (CID 66466796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).