1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol

C12H15F4NO2 — CID 103778620

IUPAC1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(C(C)NCC(O)C(F)(F)F)c(F)c1
InChIInChI=1S/C12H15F4NO2/c1-7(17-6-11(18)12(14,15)16)9-4-3-8(19-2)5-10(9)13/h3-5,7,11,17-18H,6H2,1-2H3
InChIKeyFYSYHKWGJZUAGZ-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.41
Rot. Bonds5

About 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol (PubChem CID 103778620) has the molecular formula C12H15F4NO2 and a molecular weight of 281.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
PubChem CID103778620
Molecular FormulaC12H15F4NO2
Molecular Weight281.25 g/mol
Exact Mass281.10
IUPAC Name1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(C(C)NCC(O)C(F)(F)F)c(F)c1
InChIInChI=1S/C12H15F4NO2/c1-7(17-6-11(18)12(14,15)16)9-4-3-8(19-2)5-10(9)13/h3-5,7,11,17-18H,6H2,1-2H3
InChIKeyFYSYHKWGJZUAGZ-UHFFFAOYSA-N
XLogP2.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778618
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906152
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993210
2-ethyl-2-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propane-1,3-diol
CID 103935667
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol (CID 103778620) is 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol is COc1ccc(C(C)NCC(O)C(F)(F)F)c(F)c1.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
The InChIKey is FYSYHKWGJZUAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO2/c1-7(17-6-11(18)12(14,15)16)9-4-3-8(19-2)5-10(9)13/h3-5,7,11,17-18H,6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol has a molecular weight of 281.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 103778620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).