2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol

C5H3F9O3 — CID 122445395

IUPAC2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol
SMILESOC(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)F
InChIInChI=1S/C5H3F9O3/c6-1(15)3(9,10)17-5(13,14)4(11,12)16-2(7)8/h1-2,15H
InChIKeyUZAVMKLIEDMSPE-UHFFFAOYSA-N
MW282.06 g/mol
LogP2.31
Rot. Bonds6

About 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol

2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol (PubChem CID 122445395) has the molecular formula C5H3F9O3 and a molecular weight of 282.06 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol
PubChem CID122445395
Molecular FormulaC5H3F9O3
Molecular Weight282.06 g/mol
Exact Mass281.99
IUPAC Name2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol
SMILESOC(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)F
InChIInChI=1S/C5H3F9O3/c6-1(15)3(9,10)17-5(13,14)4(11,12)16-2(7)8/h1-2,15H
InChIKeyUZAVMKLIEDMSPE-UHFFFAOYSA-N
XLogP2.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.06
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol 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

1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane
CID 154092852
1-(difluoromethoxy)-1,1,3,3,3-pentafluoropropane
CID 87502285
2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol
CID 139797312
1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethane
CID 150266243
2-chloro-1,2,2-trifluoroethanol
CID 57117523
[2-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropyl] hypofluorite
CID 88556084
[3-(difluoromethoxy)-2,2,3,3-tetrafluoropropyl] prop-2-enoate
CID 89110731
2-[1,1,2-trifluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetic acid
CID 162396615
2-(difluoromethoxy)-2,3,3,3-tetrafluoropropanoic acid
CID 58623366
2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane
CID 22288049
trichloro(difluoromethoxy)methane
CID 10986989
difluoromethanol;trifluoromethanol
CID 174795938

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol?
The IUPAC name of 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol (CID 122445395) is 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol.
What is the SMILES notation for 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol?
The canonical SMILES for 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol is OC(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol?
The InChIKey is UZAVMKLIEDMSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O3/c6-1(15)3(9,10)17-5(13,14)4(11,12)16-2(7)8/h1-2,15H.
What are the key properties of 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol?
2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol has a molecular weight of 282.06 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,2,2-trifluoroethanol is sourced from PubChem (CID 122445395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).