2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one

C8H10F3NO2 — CID 102652553

IUPAC2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)C1=CCCO1)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c1-7(12,8(9,10)11)6(13)5-3-2-4-14-5/h3H,2,4,12H2,1H3
InChIKeyBIVZWEQEQZNSIC-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.14
Rot. Bonds2

About 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one

2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one (PubChem CID 102652553) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one
PubChem CID102652553
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(N)(C(=O)C1=CCCO1)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c1-7(12,8(9,10)11)6(13)5-3-2-4-14-5/h3H,2,4,12H2,1H3
InChIKeyBIVZWEQEQZNSIC-UHFFFAOYSA-N
XLogP1.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one (CID 102652553) is 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one is CC(N)(C(=O)C1=CCCO1)C(F)(F)F.
What is the InChIKey of 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The InChIKey is BIVZWEQEQZNSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-7(12,8(9,10)11)6(13)5-3-2-4-14-5/h3H,2,4,12H2,1H3.
What are the key properties of 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one has a molecular weight of 209.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-2-methylpropan-1-one is sourced from PubChem (CID 102652553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).