2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine

C7H8F3NO — CID 55282388

IUPAC2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine
SMILESCNC(c1ccoc1)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-11-6(7(8,9)10)5-2-3-12-4-5/h2-4,6,11H,1H3
InChIKeyXBMQBLRXOIUDIO-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.10
Rot. Bonds2

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

2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine (PubChem CID 55282388) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine
PubChem CID55282388
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine
SMILESCNC(c1ccoc1)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-11-6(7(8,9)10)5-2-3-12-4-5/h2-4,6,11H,1H3
InChIKeyXBMQBLRXOIUDIO-UHFFFAOYSA-N
XLogP2.10
TPSA25.17 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 ≤ 52.10
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-1-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine (CID 55282388) is 2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine is CNC(c1ccoc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine?
The InChIKey is XBMQBLRXOIUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-11-6(7(8,9)10)5-2-3-12-4-5/h2-4,6,11H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine?
2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine has a molecular weight of 179.14 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 55282388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).