3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol

C10H12F3NO3 — CID 170828607

IUPAC3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)5-1-2-6(7(15)3-5)9(17)8(16)4-14/h1-3,8-9,15-17H,4,14H2
InChIKeyWFOCLSBONGEMIR-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.76
Rot. Bonds3

About 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol

3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol (PubChem CID 170828607) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol
PubChem CID170828607
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)5-1-2-6(7(15)3-5)9(17)8(16)4-14/h1-3,8-9,15-17H,4,14H2
InChIKeyWFOCLSBONGEMIR-UHFFFAOYSA-N
XLogP0.76
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-[2-hydroxy-4-(trifluoromethyl)phenyl]butane-1,2-diol
CID 171892595
3-amino-1-[2,5-bis(trifluoromethyl)phenyl]propane-1,2-diol
CID 170829214
3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
CID 170827678
1-[2-amino-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818491
3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
CID 117414481
2-(4-amino-1,2-dihydroxybutyl)-5-(trifluoromethyl)benzaldehyde
CID 171882123
3-bromo-1-[2-bromo-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171861129
2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220
3-bromo-1-[2-chloro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171861128
1-[2-methyl-4-(trifluoromethyl)phenyl]-4-sulfanylbutane-1,2-diol
CID 171874604

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol?
The IUPAC name of 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol (CID 170828607) is 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol?
The canonical SMILES for 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol is NCC(O)C(O)c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol?
The InChIKey is WFOCLSBONGEMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c11-10(12,13)5-1-2-6(7(15)3-5)9(17)8(16)4-14/h1-3,8-9,15-17H,4,14H2.
What are the key properties of 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol?
3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol has a molecular weight of 251.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-hydroxy-4-(trifluoromethyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 170828607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).