ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate

C9H14F2O3 — CID 118062237

IUPACethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(COC(F)F)C1
InChIInChI=1S/C9H14F2O3/c1-2-13-8(12)7-3-6(4-7)5-14-9(10)11/h6-7,9H,2-5H2,1H3
InChIKeyCCUABLAMSGTEPN-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.81
Rot. Bonds5

About ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate

ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate (PubChem CID 118062237) has the molecular formula C9H14F2O3 and a molecular weight of 208.20 g/mol. Its IUPAC name is ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate
PubChem CID118062237
Molecular FormulaC9H14F2O3
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Nameethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(COC(F)F)C1
InChIInChI=1S/C9H14F2O3/c1-2-13-8(12)7-3-6(4-7)5-14-9(10)11/h6-7,9H,2-5H2,1H3
InChIKeyCCUABLAMSGTEPN-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-fluorocyclobutane-1-carboxylate
CID 83853922
ethyl 3,4-difluorocyclopentane-1-carboxylate
CID 155893125
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
ethyl (1S,5R)-bicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 159150821
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292
ethyl 4-(difluoromethyl)cyclohexane-1-carboxylate
CID 59569173
ethyl 3-iodo-4-(3-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 114774705
methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylate
CID 130415000
ethyl 3-hexylcyclopentane-1-carboxylate
CID 118356628
trans-ethyl (1S,2S)-2-(difluoromethyl)cyclopropane-1-carboxylate
CID 131213145

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate (CID 118062237) is ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate is CCOC(=O)C1CC(COC(F)F)C1.
What is the InChIKey of ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate?
The InChIKey is CCUABLAMSGTEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O3/c1-2-13-8(12)7-3-6(4-7)5-14-9(10)11/h6-7,9H,2-5H2,1H3.
What are the key properties of ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate?
ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate has a molecular weight of 208.20 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 118062237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).