1-(difluoromethoxy)-2,2,2-trifluoroethanol

C3H3F5O2 — CID 91517006

IUPAC1-(difluoromethoxy)-2,2,2-trifluoroethanol
SMILESOC(OC(F)F)C(F)(F)F
InChIInChI=1S/C3H3F5O2/c4-2(5)10-1(9)3(6,7)8/h1-2,9H
InChIKeyJDDDJAMOHBLDSL-UHFFFAOYSA-N
MW166.05 g/mol
LogP1.11
Rot. Bonds2

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

1-(difluoromethoxy)-2,2,2-trifluoroethanol (PubChem CID 91517006) has the molecular formula C3H3F5O2 and a molecular weight of 166.05 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(difluoromethoxy)-2,2,2-trifluoroethanol
PubChem CID91517006
Molecular FormulaC3H3F5O2
Molecular Weight166.05 g/mol
Exact Mass166.01
IUPAC Name1-(difluoromethoxy)-2,2,2-trifluoroethanol
SMILESOC(OC(F)F)C(F)(F)F
InChIInChI=1S/C3H3F5O2/c4-2(5)10-1(9)3(6,7)8/h1-2,9H
InChIKeyJDDDJAMOHBLDSL-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 ≤ 500166.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(difluoromethoxy)-2,2,2-trifluoroethanol (CID 91517006) is 1-(difluoromethoxy)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(difluoromethoxy)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(difluoromethoxy)-2,2,2-trifluoroethanol is OC(OC(F)F)C(F)(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2,2,2-trifluoroethanol?
The InChIKey is JDDDJAMOHBLDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O2/c4-2(5)10-1(9)3(6,7)8/h1-2,9H.
What are the key properties of 1-(difluoromethoxy)-2,2,2-trifluoroethanol?
1-(difluoromethoxy)-2,2,2-trifluoroethanol has a molecular weight of 166.05 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 1-(difluoromethoxy)-2,2,2-trifluoroethanol is sourced from PubChem (CID 91517006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).