2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one

C8H8F3NO2 — CID 116593141

IUPAC2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1ccoc1)C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-7(12,8(9,10)11)6(13)5-2-3-14-4-5/h2-4H,12H2,1H3
InChIKeyOXFFSXHJWSVEND-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.74
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one

2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one (PubChem CID 116593141) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one
PubChem CID116593141
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one
SMILESCC(N)(C(=O)c1ccoc1)C(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-7(12,8(9,10)11)6(13)5-2-3-14-4-5/h2-4H,12H2,1H3
InChIKeyOXFFSXHJWSVEND-UHFFFAOYSA-N
XLogP1.74
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one (CID 116593141) is 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one is CC(N)(C(=O)c1ccoc1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one?
The InChIKey is OXFFSXHJWSVEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-7(12,8(9,10)11)6(13)5-2-3-14-4-5/h2-4H,12H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one?
2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one has a molecular weight of 207.15 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-1-(furan-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 116593141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).