3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one

C9H10F3NO2 — CID 116593097

IUPAC3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one
SMILESCC(N)(C(=O)Cc1ccoc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-8(13,9(10,11)12)7(14)4-6-2-3-15-5-6/h2-3,5H,4,13H2,1H3
InChIKeyVVQSMDKPIFKNPZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.67
Rot. Bonds3

About 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one

3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one (PubChem CID 116593097) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one
PubChem CID116593097
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one
SMILESCC(N)(C(=O)Cc1ccoc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-8(13,9(10,11)12)7(14)4-6-2-3-15-5-6/h2-3,5H,4,13H2,1H3
InChIKeyVVQSMDKPIFKNPZ-UHFFFAOYSA-N
XLogP1.67
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one?
The IUPAC name of 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one (CID 116593097) is 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one?
The canonical SMILES for 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one is CC(N)(C(=O)Cc1ccoc1)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one?
The InChIKey is VVQSMDKPIFKNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-8(13,9(10,11)12)7(14)4-6-2-3-15-5-6/h2-3,5H,4,13H2,1H3.
What are the key properties of 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one?
3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-1-(furan-3-yl)-3-methylbutan-2-one is sourced from PubChem (CID 116593097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).