3-(difluoromethoxy)cyclobutan-1-ol

C5H8F2O2 — CID 131455676

IUPAC3-(difluoromethoxy)cyclobutan-1-ol
SMILESOC1CC(OC(F)F)C1
InChIInChI=1S/C5H8F2O2/c6-5(7)9-4-1-3(8)2-4/h3-5,8H,1-2H2
InChIKeyUVEIXTWAJXLWOK-UHFFFAOYSA-N
MW138.11 g/mol
LogP0.75
Rot. Bonds2

About 3-(difluoromethoxy)cyclobutan-1-ol

3-(difluoromethoxy)cyclobutan-1-ol (PubChem CID 131455676) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is 3-(difluoromethoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(difluoromethoxy)cyclobutan-1-ol
PubChem CID131455676
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name3-(difluoromethoxy)cyclobutan-1-ol
SMILESOC1CC(OC(F)F)C1
InChIInChI=1S/C5H8F2O2/c6-5(7)9-4-1-3(8)2-4/h3-5,8H,1-2H2
InChIKeyUVEIXTWAJXLWOK-UHFFFAOYSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)cyclobutan-1-ol?
The IUPAC name of 3-(difluoromethoxy)cyclobutan-1-ol (CID 131455676) is 3-(difluoromethoxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(difluoromethoxy)cyclobutan-1-ol?
The canonical SMILES for 3-(difluoromethoxy)cyclobutan-1-ol is OC1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)cyclobutan-1-ol?
The InChIKey is UVEIXTWAJXLWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c6-5(7)9-4-1-3(8)2-4/h3-5,8H,1-2H2.
What are the key properties of 3-(difluoromethoxy)cyclobutan-1-ol?
3-(difluoromethoxy)cyclobutan-1-ol has a molecular weight of 138.11 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)cyclobutan-1-ol is sourced from PubChem (CID 131455676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).