2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol

C11H14F3NO3 — CID 114008841

IUPAC2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol
SMILESOCC(CO)(CO)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)8-3-1-2-4-9(8)15-10(5-16,6-17)7-18/h1-4,15-18H,5-7H2
InChIKeyQUYDTJPJUWACOD-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.83
Rot. Bonds5

About 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol

2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol (PubChem CID 114008841) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol
PubChem CID114008841
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol
SMILESOCC(CO)(CO)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)8-3-1-2-4-9(8)15-10(5-16,6-17)7-18/h1-4,15-18H,5-7H2
InChIKeyQUYDTJPJUWACOD-UHFFFAOYSA-N
XLogP0.83
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 103933703
1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
CID 60899190
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-methyl-2-[2-(trifluoromethyl)anilino]propanamide
CID 62312755
(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol
CID 115038099
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931
1-chloro-2-[2-(trifluoromethyl)phenyl]hydrazine
CID 175316529
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
CID 106287816
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 104857703
1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[2-(trifluoromethyl)anilino]propanoate
CID 630134

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol (CID 114008841) is 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol is OCC(CO)(CO)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol?
The InChIKey is QUYDTJPJUWACOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c12-11(13,14)8-3-1-2-4-9(8)15-10(5-16,6-17)7-18/h1-4,15-18H,5-7H2.
What are the key properties of 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol?
2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol has a molecular weight of 265.23 g/mol, XLogP of 0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol is sourced from PubChem (CID 114008841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).