difluoro(2,2,2-trifluoroethoxy)methanol

C3H3F5O2 — CID 54080608

IUPACdifluoro(2,2,2-trifluoroethoxy)methanol
SMILESOC(F)(F)OCC(F)(F)F
InChIInChI=1S/C3H3F5O2/c4-2(5,6)1-10-3(7,8)9/h9H,1H2
InChIKeyZNJJJCGJDORRAQ-UHFFFAOYSA-N
MW166.04 g/mol
LogP1.11
Rot. Bonds2

About difluoro(2,2,2-trifluoroethoxy)methanol

difluoro(2,2,2-trifluoroethoxy)methanol (PubChem CID 54080608) has the molecular formula C3H3F5O2 and a molecular weight of 166.04 g/mol. Its IUPAC name is difluoro(2,2,2-trifluoroethoxy)methanol.

Molecular Properties

Compound Namedifluoro(2,2,2-trifluoroethoxy)methanol
PubChem CID54080608
Molecular FormulaC3H3F5O2
Molecular Weight166.04 g/mol
Exact Mass166.01
IUPAC Namedifluoro(2,2,2-trifluoroethoxy)methanol
SMILESOC(F)(F)OCC(F)(F)F
InChIInChI=1S/C3H3F5O2/c4-2(5,6)1-10-3(7,8)9/h9H,1H2
InChIKeyZNJJJCGJDORRAQ-UHFFFAOYSA-N
XLogP1.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.04
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze difluoro(2,2,2-trifluoroethoxy)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-Trifluoroethoxymethanetriol
CID 20460036
2,2,2-Trifluoroethyl hydrogen carbonate
CID 22924600
Difluoro(1,1,2,2-tetrafluoroethoxy)methanol
CID 54477328
1,2,2-Trifluoroethyl hydrogen carbonate
CID 54516242
2,2-Difluoroethoxy(difluoro)methanol
CID 57086823
1,2,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol
CID 57236835
Ethoxy(difluoro)methanol
CID 57281671
1,2,2,2-Tetrafluoro-1-(fluoromethoxy)ethanol
CID 88720808
1,2,2,2-Tetrafluoroethyl hydrogen carbonate
CID 151459908
[2,2-Difluoroethoxy(difluoro)methyl] hypofluorite
CID 159937141
1-[Difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol
CID 166940624
Fluoro(1,1,2,2-tetrafluoroethoxy)methanol
CID 173425084

Frequently Asked Questions

What is the IUPAC name of difluoro(2,2,2-trifluoroethoxy)methanol?
The IUPAC name of difluoro(2,2,2-trifluoroethoxy)methanol (CID 54080608) is difluoro(2,2,2-trifluoroethoxy)methanol.
What is the SMILES notation for difluoro(2,2,2-trifluoroethoxy)methanol?
The canonical SMILES for difluoro(2,2,2-trifluoroethoxy)methanol is OC(F)(F)OCC(F)(F)F.
What is the InChIKey of difluoro(2,2,2-trifluoroethoxy)methanol?
The InChIKey is ZNJJJCGJDORRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O2/c4-2(5,6)1-10-3(7,8)9/h9H,1H2.
What are the key properties of difluoro(2,2,2-trifluoroethoxy)methanol?
difluoro(2,2,2-trifluoroethoxy)methanol has a molecular weight of 166.04 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(2,2,2-trifluoroethoxy)methanol is sourced from PubChem (CID 54080608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).