2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one

C9H10F3NO2 — CID 131043287

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one
SMILESCc1cocc1C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-5-3-15-4-6(5)7(14)8(2,13)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyBZUZTSJSCMQGLQ-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.05
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one (PubChem CID 131043287) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one
PubChem CID131043287
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one
SMILESCc1cocc1C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-5-3-15-4-6(5)7(14)8(2,13)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyBZUZTSJSCMQGLQ-UHFFFAOYSA-N
XLogP2.05
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.05
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-2-methyl-1-(4-methylfuran-3-yl)propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one (CID 131043287) is 2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one is Cc1cocc1C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one?
The InChIKey is BZUZTSJSCMQGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-5-3-15-4-6(5)7(14)8(2,13)9(10,11)12/h3-4H,13H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-(4-methylfuran-3-yl)propan-1-one has a molecular weight of 221.18 g/mol, XLogP of 2.05, 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-2-methyl-1-(4-methylfuran-3-yl)propan-1-one is sourced from PubChem (CID 131043287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).