methyl 2,3-difluorocyclobutane-1-carboxylate

C6H8F2O2 — CID 175603308

IUPACmethyl 2,3-difluorocyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(F)C1F
InChIInChI=1S/C6H8F2O2/c1-10-6(9)3-2-4(7)5(3)8/h3-5H,2H2,1H3
InChIKeyUUESAOWGSVFPMK-UHFFFAOYSA-N
MW150.12 g/mol
LogP0.86
Rot. Bonds1

About methyl 2,3-difluorocyclobutane-1-carboxylate

methyl 2,3-difluorocyclobutane-1-carboxylate (PubChem CID 175603308) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is methyl 2,3-difluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-difluorocyclobutane-1-carboxylate
PubChem CID175603308
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Namemethyl 2,3-difluorocyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(F)C1F
InChIInChI=1S/C6H8F2O2/c1-10-6(9)3-2-4(7)5(3)8/h3-5H,2H2,1H3
InChIKeyUUESAOWGSVFPMK-UHFFFAOYSA-N
XLogP0.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-difluorocyclobutane-1-carboxylate?
The IUPAC name of methyl 2,3-difluorocyclobutane-1-carboxylate (CID 175603308) is methyl 2,3-difluorocyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2,3-difluorocyclobutane-1-carboxylate?
The canonical SMILES for methyl 2,3-difluorocyclobutane-1-carboxylate is COC(=O)C1CC(F)C1F.
What is the InChIKey of methyl 2,3-difluorocyclobutane-1-carboxylate?
The InChIKey is UUESAOWGSVFPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-10-6(9)3-2-4(7)5(3)8/h3-5H,2H2,1H3.
What are the key properties of methyl 2,3-difluorocyclobutane-1-carboxylate?
methyl 2,3-difluorocyclobutane-1-carboxylate has a molecular weight of 150.12 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-difluorocyclobutane-1-carboxylate is sourced from PubChem (CID 175603308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).