ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate

C9H15FO3 — CID 103564898

IUPACethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate
SMILESCCOC(=O)C(F)C1(O)CC(C)C1
InChIInChI=1S/C9H15FO3/c1-3-13-8(11)7(10)9(12)4-6(2)5-9/h6-7,12H,3-5H2,1-2H3
InChIKeyFCPWIBVWFRRQDY-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.05
Rot. Bonds3

About ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate

ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate (PubChem CID 103564898) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate
PubChem CID103564898
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Nameethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate
SMILESCCOC(=O)C(F)C1(O)CC(C)C1
InChIInChI=1S/C9H15FO3/c1-3-13-8(11)7(10)9(12)4-6(2)5-9/h6-7,12H,3-5H2,1-2H3
InChIKeyFCPWIBVWFRRQDY-UHFFFAOYSA-N
XLogP1.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate (CID 103564898) is ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate is CCOC(=O)C(F)C1(O)CC(C)C1.
What is the InChIKey of ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate?
The InChIKey is FCPWIBVWFRRQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-3-13-8(11)7(10)9(12)4-6(2)5-9/h6-7,12H,3-5H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate?
ethyl 2-fluoro-2-(1-hydroxy-3-methylcyclobutyl)acetate has a molecular weight of 190.21 g/mol, XLogP of 1.05, 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-hydroxy-3-methylcyclobutyl)acetate is sourced from PubChem (CID 103564898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).