ethyl 2,2-difluorocyclobutane-1-carboxylate

C7H10F2O2 — CID 130638255

IUPACethyl 2,2-difluorocyclobutane-1-carboxylate
SMILESCCOC(=O)C1CCC1(F)F
InChIInChI=1S/C7H10F2O2/c1-2-11-6(10)5-3-4-7(5,8)9/h5H,2-4H2,1H3
InChIKeyOWYYGSMBRBDZQI-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.59
Rot. Bonds2

About ethyl 2,2-difluorocyclobutane-1-carboxylate

ethyl 2,2-difluorocyclobutane-1-carboxylate (PubChem CID 130638255) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is ethyl 2,2-difluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-difluorocyclobutane-1-carboxylate
PubChem CID130638255
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Nameethyl 2,2-difluorocyclobutane-1-carboxylate
SMILESCCOC(=O)C1CCC1(F)F
InChIInChI=1S/C7H10F2O2/c1-2-11-6(10)5-3-4-7(5,8)9/h5H,2-4H2,1H3
InChIKeyOWYYGSMBRBDZQI-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2,2-difluorocyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3,3-difluoropiperidine-4-carboxylate
CID 105446715
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
cyanomethyl 2,2-difluorocyclopentane-1-carboxylate
CID 130634596
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl (3aS,6aR)-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 154555213
ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride
CID 143101970
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl (1R,2S,5S)-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]octane-2-carboxylate
CID 177433119
ethyl 5-oxaspiro[2.4]heptane-2-carboxylate
CID 130668492
ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
CID 124709143

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluorocyclobutane-1-carboxylate?
The IUPAC name of ethyl 2,2-difluorocyclobutane-1-carboxylate (CID 130638255) is ethyl 2,2-difluorocyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-difluorocyclobutane-1-carboxylate?
The canonical SMILES for ethyl 2,2-difluorocyclobutane-1-carboxylate is CCOC(=O)C1CCC1(F)F.
What is the InChIKey of ethyl 2,2-difluorocyclobutane-1-carboxylate?
The InChIKey is OWYYGSMBRBDZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-2-11-6(10)5-3-4-7(5,8)9/h5H,2-4H2,1H3.
What are the key properties of ethyl 2,2-difluorocyclobutane-1-carboxylate?
ethyl 2,2-difluorocyclobutane-1-carboxylate has a molecular weight of 164.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluorocyclobutane-1-carboxylate is sourced from PubChem (CID 130638255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).