2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol

C12H16F3NO — CID 55067068

IUPAC2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCCc1ccccc1C(CO)NCC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-9-5-3-4-6-10(9)11(7-17)16-8-12(13,14)15/h3-6,11,16-17H,2,7-8H2,1H3
InChIKeySAXLGSBUKHKLBD-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 55067068) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID55067068
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCCc1ccccc1C(CO)NCC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-9-5-3-4-6-10(9)11(7-17)16-8-12(13,14)15/h3-6,11,16-17H,2,7-8H2,1H3
InChIKeySAXLGSBUKHKLBD-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylphenyl)-2-(2-methylpropylamino)ethanol
CID 62415875
2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 62415682
(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 55276460
2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol
CID 114058089
3-(2-ethylphenyl)-3-(propylamino)propan-1-ol
CID 65235088
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 64510371
4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 62881119
2-(2-ethylphenyl)-2-(3-methylanilino)ethanol
CID 55067115
2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid
CID 83824014
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968
1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114211088

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 55067068) is 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol is CCc1ccccc1C(CO)NCC(F)(F)F.
What is the InChIKey of 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is SAXLGSBUKHKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-9-5-3-4-6-10(9)11(7-17)16-8-12(13,14)15/h3-6,11,16-17H,2,7-8H2,1H3.
What are the key properties of 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 247.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 55067068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).