1,2-difluoroethanol;fluoro acetate

C4H7F3O3 — CID 135335671

IUPAC1,2-difluoroethanol;fluoro acetate
SMILESCC(=O)OF.OC(F)CF
InChIInChI=1S/C2H4F2O.C2H3FO2/c3-1-2(4)5;1-2(4)5-3/h2,5H,1H2;1H3
InChIKeyZCJHQNOXMNEPKY-UHFFFAOYSA-N
MW160.09 g/mol
LogP0.68
Rot. Bonds1

About 1,2-difluoroethanol;fluoro acetate

1,2-difluoroethanol;fluoro acetate (PubChem CID 135335671) has the molecular formula C4H7F3O3 and a molecular weight of 160.09 g/mol. Its IUPAC name is 1,2-difluoroethanol;fluoro acetate.

Molecular Properties

Compound Name1,2-difluoroethanol;fluoro acetate
PubChem CID135335671
Molecular FormulaC4H7F3O3
Molecular Weight160.09 g/mol
Exact Mass160.03
IUPAC Name1,2-difluoroethanol;fluoro acetate
SMILESCC(=O)OF.OC(F)CF
InChIInChI=1S/C2H4F2O.C2H3FO2/c3-1-2(4)5;1-2(4)5-3/h2,5H,1H2;1H3
InChIKeyZCJHQNOXMNEPKY-UHFFFAOYSA-N
XLogP0.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.09
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;fluoro acetate
CID 174579483
1,2-difluoroethanol;methanesulfonic acid
CID 175310742
carbanide;1,2-difluoroethanol;rutherfordium
CID 58942634
(3-fluoro-2-hydroxypropyl) acetate
CID 130125053
ethyl acetate;fluoroform;formic acid;methanol
CID 174054036
fluoro 2-deuterio-2,2-difluoroacetate
CID 20826380
[(2R,3S,4S,5R)-1,2-difluoro-4,5-dihydroxyhexan-3-yl] ethaneperoxoate
CID 88593421
ethyl acetate;bis(propan-2-ol)
CID 87186921
acetic acid;fluoroform
CID 87238268
triacetyloxy(hydroxy)phosphanium
CID 177255462
ethyl acetate;2-fluoro-3-oxobutanoic acid;hydrate
CID 174333289
chloroform;ethyl acetate
CID 173321498

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethanol;fluoro acetate?
The IUPAC name of 1,2-difluoroethanol;fluoro acetate (CID 135335671) is 1,2-difluoroethanol;fluoro acetate.
What is the SMILES notation for 1,2-difluoroethanol;fluoro acetate?
The canonical SMILES for 1,2-difluoroethanol;fluoro acetate is CC(=O)OF.OC(F)CF.
What is the InChIKey of 1,2-difluoroethanol;fluoro acetate?
The InChIKey is ZCJHQNOXMNEPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2O.C2H3FO2/c3-1-2(4)5;1-2(4)5-3/h2,5H,1H2;1H3.
What are the key properties of 1,2-difluoroethanol;fluoro acetate?
1,2-difluoroethanol;fluoro acetate has a molecular weight of 160.09 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroethanol;fluoro acetate is sourced from PubChem (CID 135335671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).