1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol

C4H5F5O2 — CID 57236959

IUPAC1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol
SMILESOC(OCC(F)F)C(F)(F)F
InChIInChI=1S/C4H5F5O2/c5-2(6)1-11-3(10)4(7,8)9/h2-3,10H,1H2
InChIKeySVKHJDFFCTUSOW-UHFFFAOYSA-N
MW180.07 g/mol
LogP1.15
Rot. Bonds3

About 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol

1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol (PubChem CID 57236959) has the molecular formula C4H5F5O2 and a molecular weight of 180.07 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol
PubChem CID57236959
Molecular FormulaC4H5F5O2
Molecular Weight180.07 g/mol
Exact Mass180.02
IUPAC Name1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol
SMILESOC(OCC(F)F)C(F)(F)F
InChIInChI=1S/C4H5F5O2/c5-2(6)1-11-3(10)4(7,8)9/h2-3,10H,1H2
InChIKeySVKHJDFFCTUSOW-UHFFFAOYSA-N
XLogP1.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.07
LogP ≤ 51.15
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol (CID 57236959) is 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol is OC(OCC(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol?
The InChIKey is SVKHJDFFCTUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O2/c5-2(6)1-11-3(10)4(7,8)9/h2-3,10H,1H2.
What are the key properties of 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol?
1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol has a molecular weight of 180.07 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-2,2,2-trifluoroethanol is sourced from PubChem (CID 57236959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).