1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone

C7H11FO2 — CID 176833409

IUPAC1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone
SMILESCC(=O)C1CC(F)(CO)C1
InChIInChI=1S/C7H11FO2/c1-5(10)6-2-7(8,3-6)4-9/h6,9H,2-4H2,1H3
InChIKeyKCKXBKUGUSTIES-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.69
Rot. Bonds2

About 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone

1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone (PubChem CID 176833409) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone
PubChem CID176833409
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone
SMILESCC(=O)C1CC(F)(CO)C1
InChIInChI=1S/C7H11FO2/c1-5(10)6-2-7(8,3-6)4-9/h6,9H,2-4H2,1H3
InChIKeyKCKXBKUGUSTIES-UHFFFAOYSA-N
XLogP0.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone?
The IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone (CID 176833409) is 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone?
The canonical SMILES for 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone is CC(=O)C1CC(F)(CO)C1.
What is the InChIKey of 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone?
The InChIKey is KCKXBKUGUSTIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-5(10)6-2-7(8,3-6)4-9/h6,9H,2-4H2,1H3.
What are the key properties of 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone?
1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone has a molecular weight of 146.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-3-(hydroxymethyl)cyclobutyl]ethanone is sourced from PubChem (CID 176833409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).