ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate

C10H16F2O4 — CID 106824086

IUPACethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1(O)CC(OCC)C1
InChIInChI=1S/C10H16F2O4/c1-3-15-7-5-9(14,6-7)10(11,12)8(13)16-4-2/h7,14H,3-6H2,1-2H3
InChIKeyCLYFTKODXHJKEL-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.11
Rot. Bonds5

About ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate

ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate (PubChem CID 106824086) has the molecular formula C10H16F2O4 and a molecular weight of 238.23 g/mol. Its IUPAC name is ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate
PubChem CID106824086
Molecular FormulaC10H16F2O4
Molecular Weight238.23 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)C1(O)CC(OCC)C1
InChIInChI=1S/C10H16F2O4/c1-3-15-7-5-9(14,6-7)10(11,12)8(13)16-4-2/h7,14H,3-6H2,1-2H3
InChIKeyCLYFTKODXHJKEL-UHFFFAOYSA-N
XLogP1.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,2-difluoro-2-(1-hydroxycyclobutyl)acetate
CID 62396584
ethyl 2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcyclohexyl)acetate
CID 62703756
ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate
CID 114079444
ethyl 2,2-difluoro-2-(1-hydroxy-2,4,4-trimethylcyclopentyl)acetate
CID 106664078
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
CID 106824079
ethyl 2,2-difluoro-2-(1-hydroxy-2,2-dimethylcyclohexyl)acetate
CID 79852429
3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
CID 106823216
ethyl 2-(3-bromo-1-bicyclo[1.1.1]pentanyl)-2,2-difluoroacetate
CID 162341501
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl 2-(2-tert-butyl-1-hydroxycyclohexyl)-2,2-difluoroacetate
CID 63488712
ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate
CID 106874296
1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
CID 106823329

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate (CID 106824086) is ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)C1(O)CC(OCC)C1.
What is the InChIKey of ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate?
The InChIKey is CLYFTKODXHJKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O4/c1-3-15-7-5-9(14,6-7)10(11,12)8(13)16-4-2/h7,14H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate?
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate has a molecular weight of 238.23 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate is sourced from PubChem (CID 106824086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).