ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate

C11H19FO3 — CID 103564897

IUPACethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate
SMILESCCOC(=O)C(F)C1(O)CC(C(C)C)C1
InChIInChI=1S/C11H19FO3/c1-4-15-10(13)9(12)11(14)5-8(6-11)7(2)3/h7-9,14H,4-6H2,1-3H3
InChIKeyWTMDSZFEHVJOAP-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.68
Rot. Bonds4

About ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate

ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate (PubChem CID 103564897) has the molecular formula C11H19FO3 and a molecular weight of 218.27 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate
PubChem CID103564897
Molecular FormulaC11H19FO3
Molecular Weight218.27 g/mol
Exact Mass218.13
IUPAC Nameethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate
SMILESCCOC(=O)C(F)C1(O)CC(C(C)C)C1
InChIInChI=1S/C11H19FO3/c1-4-15-10(13)9(12)11(14)5-8(6-11)7(2)3/h7-9,14H,4-6H2,1-3H3
InChIKeyWTMDSZFEHVJOAP-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate
CID 103564898
ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
CID 79366198
ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate
CID 79366378
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563412
ethyl 1-acetyl-3-propan-2-ylcyclobutane-1-carboxylate
CID 79560591
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)-2-fluoroacetate
CID 79366817
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
2-(1-hydroxy-3-propan-2-ylcyclobutyl)propanoic acid
CID 103564879
ethyl 2-fluoro-2-(4-hydroxy-1-propylazepan-4-yl)acetate
CID 79366738
ethyl 2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcyclohexyl)acetate
CID 62703756
ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate
CID 166888751
ethyl 1-(cyclopropylmethylamino)-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate (CID 103564897) is ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate is CCOC(=O)C(F)C1(O)CC(C(C)C)C1.
What is the InChIKey of ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate?
The InChIKey is WTMDSZFEHVJOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO3/c1-4-15-10(13)9(12)11(14)5-8(6-11)7(2)3/h7-9,14H,4-6H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate?
ethyl 2-fluoro-2-(1-hydroxy-3-propan-2-ylcyclobutyl)acetate has a molecular weight of 218.27 g/mol, XLogP of 1.68, 4 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-hydroxy-3-propan-2-ylcyclobutyl)acetate is sourced from PubChem (CID 103564897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).