2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one

C13H16F3NO2 — CID 116592907

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-8-19-10-7-5-4-6-9(10)11(18)12(2,17)13(14,15)16/h4-7H,3,8,17H2,1-2H3
InChIKeyLIOMTJJHAHADMV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.94
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one (PubChem CID 116592907) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
PubChem CID116592907
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
SMILESCCCOc1ccccc1C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-8-19-10-7-5-4-6-9(10)11(18)12(2,17)13(14,15)16/h4-7H,3,8,17H2,1-2H3
InChIKeyLIOMTJJHAHADMV-UHFFFAOYSA-N
XLogP2.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
2-(dimethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
CID 113438216
2,2,2-trifluoro-1-(2-hexoxyphenyl)ethanone
CID 83952477
2-(diethylamino)-2-methyl-1-(2-propoxyphenyl)butan-1-one
CID 104659341
2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116592956
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2,2-dimethylpropanoyl 2-propoxybenzoate
CID 174763855
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
phenyl-(2-propoxyphenyl)methanone
CID 15556308
pentyl 2-propoxybenzoate
CID 70564677
2-methyl-2-(2-propoxyphenyl)propanoic acid
CID 104662391
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one (CID 116592907) is 2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one is CCCOc1ccccc1C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one?
The InChIKey is LIOMTJJHAHADMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-8-19-10-7-5-4-6-9(10)11(18)12(2,17)13(14,15)16/h4-7H,3,8,17H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one has a molecular weight of 275.27 g/mol, XLogP of 2.94, 5 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-(2-propoxyphenyl)propan-1-one is sourced from PubChem (CID 116592907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).