1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol

C4H3F7O2 — CID 174429370

IUPAC1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol
SMILESOC(F)(CF)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O2/c5-1-2(6,12)13-4(10,11)3(7,8)9/h12H,1H2
InChIKeyWQLGVFGPWASIHN-UHFFFAOYSA-N
MW216.05 g/mol
LogP1.74
Rot. Bonds3

About 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol

1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol (PubChem CID 174429370) has the molecular formula C4H3F7O2 and a molecular weight of 216.05 g/mol. Its IUPAC name is 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol.

Molecular Properties

Compound Name1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol
PubChem CID174429370
Molecular FormulaC4H3F7O2
Molecular Weight216.05 g/mol
Exact Mass216.00
IUPAC Name1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol
SMILESOC(F)(CF)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7O2/c5-1-2(6,12)13-4(10,11)3(7,8)9/h12H,1H2
InChIKeyWQLGVFGPWASIHN-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perfluoro-ethoxyethanol
CID 129724037
Difluoro(1,1,2,2-tetrafluoroethoxy)methanol
CID 54477328
1,2,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol
CID 57236835
2,2-Difluoro-1,1-bis(1,1,2,2-tetrafluoroethoxy)ethanol
CID 88247111
1,2,2-Trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol
CID 123290710
1,2,2-Trifluoro-1-(1,1,2-trifluoroethoxy)ethanol
CID 173394609
1-Fluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol
CID 174662815
1,1,1,3,3,3-Hexafluoro-2-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 175282352
1,2,2-Trifluoro-1-(1,2,2-trifluoroethoxy)ethanol
CID 175503591

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol?
The IUPAC name of 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol (CID 174429370) is 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol.
What is the SMILES notation for 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol?
The canonical SMILES for 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol is OC(F)(CF)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol?
The InChIKey is WQLGVFGPWASIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O2/c5-1-2(6,12)13-4(10,11)3(7,8)9/h12H,1H2.
What are the key properties of 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol?
1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol has a molecular weight of 216.05 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol is sourced from PubChem (CID 174429370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).