2,2-difluoroethoxy(difluoro)methanol

C3H4F4O2 — CID 57086823

IUPAC2,2-difluoroethoxy(difluoro)methanol
SMILESOC(F)(F)OCC(F)F
InChIInChI=1S/C3H4F4O2/c4-2(5)1-9-3(6,7)8/h2,8H,1H2
InChIKeyDIQVNYPDIHROEW-UHFFFAOYSA-N
MW148.06 g/mol
LogP0.81
Rot. Bonds3

About 2,2-difluoroethoxy(difluoro)methanol

2,2-difluoroethoxy(difluoro)methanol (PubChem CID 57086823) has the molecular formula C3H4F4O2 and a molecular weight of 148.06 g/mol. Its IUPAC name is 2,2-difluoroethoxy(difluoro)methanol.

Molecular Properties

Compound Name2,2-difluoroethoxy(difluoro)methanol
PubChem CID57086823
Molecular FormulaC3H4F4O2
Molecular Weight148.06 g/mol
Exact Mass148.01
IUPAC Name2,2-difluoroethoxy(difluoro)methanol
SMILESOC(F)(F)OCC(F)F
InChIInChI=1S/C3H4F4O2/c4-2(5)1-9-3(6,7)8/h2,8H,1H2
InChIKeyDIQVNYPDIHROEW-UHFFFAOYSA-N
XLogP0.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.06
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoroethoxymethanetriol
CID 20460036
2,2-Difluoroethyl hydrogen carbonate
CID 21263419
2,2,2-Trifluoroethoxymethyl hypofluorite
CID 22975857
[2,2-Difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol
CID 23379719
Difluoro(2,2,2-trifluoroethoxy)methanol
CID 54080608
2,2,2-Trifluoroethoxymethanol
CID 54216280
Difluoro(1,1,2,2-tetrafluoroethoxy)methanol
CID 54477328
1,2,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol
CID 57236835
Ethoxy(difluoro)methanol
CID 57281671
2,2-Difluoroethoxymethanol
CID 57968354
2,2,2-Trifluoroethoxymethanediol
CID 87197703
2,2-Difluoro-1,1-bis(1,2,2,2-tetrafluoroethoxy)ethanol
CID 88247113

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethoxy(difluoro)methanol?
The IUPAC name of 2,2-difluoroethoxy(difluoro)methanol (CID 57086823) is 2,2-difluoroethoxy(difluoro)methanol.
What is the SMILES notation for 2,2-difluoroethoxy(difluoro)methanol?
The canonical SMILES for 2,2-difluoroethoxy(difluoro)methanol is OC(F)(F)OCC(F)F.
What is the InChIKey of 2,2-difluoroethoxy(difluoro)methanol?
The InChIKey is DIQVNYPDIHROEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O2/c4-2(5)1-9-3(6,7)8/h2,8H,1H2.
What are the key properties of 2,2-difluoroethoxy(difluoro)methanol?
2,2-difluoroethoxy(difluoro)methanol has a molecular weight of 148.06 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethoxy(difluoro)methanol is sourced from PubChem (CID 57086823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).