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

C11H13F4NO3 — CID 168596052

IUPAC3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
SMILESOCC(O)CNc1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C11H13F4NO3/c12-10(13)11(14,15)19-9-4-2-1-3-8(9)16-5-7(18)6-17/h1-4,7,10,16-18H,5-6H2
InChIKeyUOIZMZDVIYRWOX-UHFFFAOYSA-N
MW283.22 g/mol
LogP1.69
Rot. Bonds7

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

3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol (PubChem CID 168596052) has the molecular formula C11H13F4NO3 and a molecular weight of 283.22 g/mol. Its IUPAC name is 3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
PubChem CID168596052
Molecular FormulaC11H13F4NO3
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC Name3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
SMILESOCC(O)CNc1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C11H13F4NO3/c12-10(13)11(14,15)19-9-4-2-1-3-8(9)16-5-7(18)6-17/h1-4,7,10,16-18H,5-6H2
InChIKeyUOIZMZDVIYRWOX-UHFFFAOYSA-N
XLogP1.69
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-cyclohexyloxyanilino)propane-1,2-diol
CID 168596583
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
ethyl 3-hydroxy-4-[2-(trifluoromethoxy)anilino]butanoate
CID 103233505
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66177121
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
3-[2-(2-thiophen-2-ylethoxy)anilino]propane-1,2-diol
CID 168595930
1-[2-(difluoromethoxy)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60900433
1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol
CID 168638306
3-[2-(3-hydroxypentan-3-yl)anilino]propane-1,2-diol
CID 168596692

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol (CID 168596052) is 3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol is OCC(O)CNc1ccccc1OC(F)(F)C(F)F.
What is the InChIKey of 3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol?
The InChIKey is UOIZMZDVIYRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO3/c12-10(13)11(14,15)19-9-4-2-1-3-8(9)16-5-7(18)6-17/h1-4,7,10,16-18H,5-6H2.
What are the key properties of 3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol?
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol has a molecular weight of 283.22 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol is sourced from PubChem (CID 168596052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).