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

C11H19FO3 — CID 79366378

IUPACethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate
SMILESCCOC(=O)C(F)C1(O)CCCCCC1
InChIInChI=1S/C11H19FO3/c1-2-15-10(13)9(12)11(14)7-5-3-4-6-8-11/h9,14H,2-8H2,1H3
InChIKeyGLICWEYFNXRTTF-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.97
Rot. Bonds3

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

ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate (PubChem CID 79366378) has the molecular formula C11H19FO3 and a molecular weight of 218.27 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate
PubChem CID79366378
Molecular FormulaC11H19FO3
Molecular Weight218.27 g/mol
Exact Mass218.13
IUPAC Nameethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate
SMILESCCOC(=O)C(F)C1(O)CCCCCC1
InChIInChI=1S/C11H19FO3/c1-2-15-10(13)9(12)11(14)7-5-3-4-6-8-11/h9,14H,2-8H2,1H3
InChIKeyGLICWEYFNXRTTF-UHFFFAOYSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
CID 79366198
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)-2-fluoroacetate
CID 79366817
ethyl 2-fluoro-2-(4-hydroxy-1-propylazepan-4-yl)acetate
CID 79366738
ethyl 2-(1-hydroxycyclononyl)propanoate
CID 15353413
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 4,4-difluoro-2-(1-hydroxycyclopentyl)but-3-enoate
CID 11107253
ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate
CID 12728534
diethyl 2-(3-hydroxy-1,1-dioxothiolan-3-yl)propanedioate
CID 63166217
ethyl 1-butylcyclohexane-1-carboxylate
CID 22016316
ethyl 3-amino-2-(1-methylcyclohexyl)-3-oxopropanoate
CID 18694888
diethyl 2,3-difluorobutanedioate
CID 12868425

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate (CID 79366378) is ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate is CCOC(=O)C(F)C1(O)CCCCCC1.
What is the InChIKey of ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate?
The InChIKey is GLICWEYFNXRTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO3/c1-2-15-10(13)9(12)11(14)7-5-3-4-6-8-11/h9,14H,2-8H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate?
ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate has a molecular weight of 218.27 g/mol, XLogP of 1.97, 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-hydroxycycloheptyl)acetate is sourced from PubChem (CID 79366378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).