[difluoro(hydroxy)methoxy]-difluoromethanol

C2H2F4O3 — CID 141374012

IUPAC[difluoro(hydroxy)methoxy]-difluoromethanol
SMILESOC(F)(F)OC(O)(F)F
InChIInChI=1S/C2H2F4O3/c3-1(4,7)9-2(5,6)8/h7-8H
InChIKeySBJMIPWHNPMODR-UHFFFAOYSA-N
MW150.03 g/mol
LogP0.09
Rot. Bonds2

About [difluoro(hydroxy)methoxy]-difluoromethanol

[difluoro(hydroxy)methoxy]-difluoromethanol (PubChem CID 141374012) has the molecular formula C2H2F4O3 and a molecular weight of 150.03 g/mol. Its IUPAC name is [difluoro(hydroxy)methoxy]-difluoromethanol.

Molecular Properties

Compound Name[difluoro(hydroxy)methoxy]-difluoromethanol
PubChem CID141374012
Molecular FormulaC2H2F4O3
Molecular Weight150.03 g/mol
Exact Mass149.99
IUPAC Name[difluoro(hydroxy)methoxy]-difluoromethanol
SMILESOC(F)(F)OC(O)(F)F
InChIInChI=1S/C2H2F4O3/c3-1(4,7)9-2(5,6)8/h7-8H
InChIKeySBJMIPWHNPMODR-UHFFFAOYSA-N
XLogP0.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.03
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [difluoro(hydroxy)methoxy]-difluoromethanol?
The IUPAC name of [difluoro(hydroxy)methoxy]-difluoromethanol (CID 141374012) is [difluoro(hydroxy)methoxy]-difluoromethanol.
What is the SMILES notation for [difluoro(hydroxy)methoxy]-difluoromethanol?
The canonical SMILES for [difluoro(hydroxy)methoxy]-difluoromethanol is OC(F)(F)OC(O)(F)F.
What is the InChIKey of [difluoro(hydroxy)methoxy]-difluoromethanol?
The InChIKey is SBJMIPWHNPMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O3/c3-1(4,7)9-2(5,6)8/h7-8H.
What are the key properties of [difluoro(hydroxy)methoxy]-difluoromethanol?
[difluoro(hydroxy)methoxy]-difluoromethanol has a molecular weight of 150.03 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(hydroxy)methoxy]-difluoromethanol is sourced from PubChem (CID 141374012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).