3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol

C11H15F2NO3 — CID 66170151

IUPAC3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
SMILESOCC(O)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO3/c12-7-1-2-9(10(13)3-7)11(17)5-14-4-8(16)6-15/h1-3,8,11,14-17H,4-6H2
InChIKeyZTBVCXMFJBTROI-UHFFFAOYSA-N
MW247.24 g/mol
LogP-0.06
Rot. Bonds6

About 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol

3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol (PubChem CID 66170151) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
PubChem CID66170151
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
SMILESOCC(O)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO3/c12-7-1-2-9(10(13)3-7)11(17)5-14-4-8(16)6-15/h1-3,8,11,14-17H,4-6H2
InChIKeyZTBVCXMFJBTROI-UHFFFAOYSA-N
XLogP-0.06
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-1-methoxybutan-2-ol
CID 106246645
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108673
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133375

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol (CID 66170151) is 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol is OCC(O)CNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol?
The InChIKey is ZTBVCXMFJBTROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c12-7-1-2-9(10(13)3-7)11(17)5-14-4-8(16)6-15/h1-3,8,11,14-17H,4-6H2.
What are the key properties of 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol?
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol has a molecular weight of 247.24 g/mol, XLogP of -0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol is sourced from PubChem (CID 66170151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).