ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate

C8H13FO3 — CID 79366198

IUPACethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
SMILESCCOC(=O)C(F)C1(O)CCC1
InChIInChI=1S/C8H13FO3/c1-2-12-7(10)6(9)8(11)4-3-5-8/h6,11H,2-5H2,1H3
InChIKeyWWSJOTCGCOQCMP-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.80
Rot. Bonds3

About ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate

ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate (PubChem CID 79366198) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
PubChem CID79366198
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Nameethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
SMILESCCOC(=O)C(F)C1(O)CCC1
InChIInChI=1S/C8H13FO3/c1-2-12-7(10)6(9)8(11)4-3-5-8/h6,11H,2-5H2,1H3
InChIKeyWWSJOTCGCOQCMP-UHFFFAOYSA-N
XLogP0.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate
CID 79366378
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)-2-fluoroacetate
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ethyl 2-fluoro-2-(4-hydroxy-1-propylazepan-4-yl)acetate
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ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate
CID 103564898
ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate
CID 103564897
ethyl 2-(1-hydroxycyclononyl)propanoate
CID 15353413
ethyl 4,4-difluoro-2-(1-hydroxycyclopentyl)but-3-enoate
CID 11107253
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate
CID 12728534
2-fluoro-2-(1-hydroxy-3,3-dimethylcyclohexyl)acetic acid
CID 79366352
ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate
CID 105366099
diethyl 2-(3-hydroxy-1,1-dioxothiolan-3-yl)propanedioate
CID 63166217

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate (CID 79366198) is ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate is CCOC(=O)C(F)C1(O)CCC1.
What is the InChIKey of ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate?
The InChIKey is WWSJOTCGCOQCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-2-12-7(10)6(9)8(11)4-3-5-8/h6,11H,2-5H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate?
ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate has a molecular weight of 176.19 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate is sourced from PubChem (CID 79366198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).