2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol

C12H16F3NO2 — CID 65310633

IUPAC2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
SMILESCC(NC(CO)CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-8(16-9(6-17)7-18)10-4-2-3-5-11(10)12(13,14)15/h2-5,8-9,16-18H,6-7H2,1H3
InChIKeyZGGVPDZAJLVHJE-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.71
Rot. Bonds5

About 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol

2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol (PubChem CID 65310633) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
PubChem CID65310633
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
SMILESCC(NC(CO)CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-8(16-9(6-17)7-18)10-4-2-3-5-11(10)12(13,14)15/h2-5,8-9,16-18H,6-7H2,1H3
InChIKeyZGGVPDZAJLVHJE-UHFFFAOYSA-N
XLogP1.71
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
2-[[(1R)-1-(2-hydroxyphenyl)ethyl]amino]propane-1,3-diol
CID 96979742
3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile
CID 62647462
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
4-methylsulfinyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 115893114
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
methyl (2S)-3-methyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]butanoate
CID 43452194
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 82706107
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol?
The IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol (CID 65310633) is 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol?
The canonical SMILES for 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol is CC(NC(CO)CO)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol?
The InChIKey is ZGGVPDZAJLVHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8(16-9(6-17)7-18)10-4-2-3-5-11(10)12(13,14)15/h2-5,8-9,16-18H,6-7H2,1H3.
What are the key properties of 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol?
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol has a molecular weight of 263.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol is sourced from PubChem (CID 65310633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).