1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol

C7H12F4O4 — CID 154623548

IUPAC1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol
SMILESOC(COCC(F)F)COCC(O)(F)F
InChIInChI=1S/C7H12F4O4/c8-6(9)3-14-1-5(12)2-15-4-7(10,11)13/h5-6,12-13H,1-4H2
InChIKeyHNDLXEVFMZHIEU-UHFFFAOYSA-N
MW236.16 g/mol
LogP0.23
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol

1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol (PubChem CID 154623548) has the molecular formula C7H12F4O4 and a molecular weight of 236.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol
PubChem CID154623548
Molecular FormulaC7H12F4O4
Molecular Weight236.16 g/mol
Exact Mass236.07
IUPAC Name1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol
SMILESOC(COCC(F)F)COCC(O)(F)F
InChIInChI=1S/C7H12F4O4/c8-6(9)3-14-1-5(12)2-15-4-7(10,11)13/h5-6,12-13H,1-4H2
InChIKeyHNDLXEVFMZHIEU-UHFFFAOYSA-N
XLogP0.23
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H,1H-Heptafluorobutoxy)propane-1,2-diol
CID 86206067
4-Oxa-6,6,7,7-tetrafluoroheptane-1,2-diol
CID 45933744
2-Propanol, 3-ethoxy-1,1,1-trifluoro-, (2S)-
CID 10261342
1,3-Bis(2,2,3,3,4,4,4-heptafluorobutoxy)propan-2-ol
CID 98454538
3-(2,2,2-Trifluoroethoxy)-1,2-propanediol
CID 14149933
1,3-Bis(1H,1H,3H-tetrafluoropropoxy)-propan-2-ol
CID 75360836
1,3-Bis(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
CID 88547799
1-Ethoxy-3,3,3-trifluoro-2-propanol
CID 22913202
3,3,4-Trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]butane-1,2-diol
CID 15472349
3,3,4-Trifluoro-4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane-1,2-diol
CID 15472350
1-(1-Methylethoxy)-3-(2,2,3,3-tetrafluoropropoxy)-2-propanol
CID 103473992
1-Methoxy-6,6,7,7-tetrafluoro-4-oxaheptan-2-ol
CID 103474074

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol?
The IUPAC name of 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol (CID 154623548) is 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol?
The canonical SMILES for 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol is OC(COCC(F)F)COCC(O)(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol?
The InChIKey is HNDLXEVFMZHIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O4/c8-6(9)3-14-1-5(12)2-15-4-7(10,11)13/h5-6,12-13H,1-4H2.
What are the key properties of 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol?
1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol has a molecular weight of 236.16 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol is sourced from PubChem (CID 154623548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).