3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol

C13H17F2NO3 — CID 106100636

IUPAC3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO3/c14-9-1-2-10(11(15)5-9)12(17)6-16-7-13(18)3-4-19-8-13/h1-2,5,12,16-18H,3-4,6-8H2
InChIKeyIUMQMUWNNHUEBA-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.74
Rot. Bonds5

About 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol

3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol (PubChem CID 106100636) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
PubChem CID106100636
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
SMILESOC(CNCC1(O)CCOC1)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO3/c14-9-1-2-10(11(15)5-9)12(17)6-16-7-13(18)3-4-19-8-13/h1-2,5,12,16-18H,3-4,6-8H2
InChIKeyIUMQMUWNNHUEBA-UHFFFAOYSA-N
XLogP0.74
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108673
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol
CID 114143445
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
1-(2,5-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760984
1-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65109009
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 106100744
(1R)-1-(2,4-difluorophenyl)-2-[(4-morpholin-4-ylphenyl)methylamino]ethanol
CID 95579560

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol (CID 106100636) is 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol is OC(CNCC1(O)CCOC1)c1ccc(F)cc1F.
What is the InChIKey of 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol?
The InChIKey is IUMQMUWNNHUEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c14-9-1-2-10(11(15)5-9)12(17)6-16-7-13(18)3-4-19-8-13/h1-2,5,12,16-18H,3-4,6-8H2.
What are the key properties of 3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol?
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]oxolan-3-ol has a molecular weight of 273.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 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]methyl]oxolan-3-ol is sourced from PubChem (CID 106100636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).