3-[(3-fluorophenoxy)methyl]cyclobutan-1-one

C11H11FO2 — CID 121208144

IUPAC3-[(3-fluorophenoxy)methyl]cyclobutan-1-one
SMILESO=C1CC(COc2cccc(F)c2)C1
InChIInChI=1S/C11H11FO2/c12-9-2-1-3-11(6-9)14-7-8-4-10(13)5-8/h1-3,6,8H,4-5,7H2
InChIKeyXUOUXTICVHGYKF-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.18
Rot. Bonds3

About 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one

3-[(3-fluorophenoxy)methyl]cyclobutan-1-one (PubChem CID 121208144) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]cyclobutan-1-one
PubChem CID121208144
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name3-[(3-fluorophenoxy)methyl]cyclobutan-1-one
SMILESO=C1CC(COc2cccc(F)c2)C1
InChIInChI=1S/C11H11FO2/c12-9-2-1-3-11(6-9)14-7-8-4-10(13)5-8/h1-3,6,8H,4-5,7H2
InChIKeyXUOUXTICVHGYKF-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium
CID 7100658
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
1-[2-(3-fluorophenoxy)ethyl]-5-oxopyrrolidine-3-carbonitrile
CID 82086762
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
(6R)-4-[(3-fluorophenoxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid
CID 70371258
5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine
CID 82292471
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
3-[(3-fluorophenoxy)methyl]thiomorpholine
CID 82287984
2-(3-fluorophenoxy)ethanethiol
CID 79002331

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one (CID 121208144) is 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one is O=C1CC(COc2cccc(F)c2)C1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one?
The InChIKey is XUOUXTICVHGYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-9-2-1-3-11(6-9)14-7-8-4-10(13)5-8/h1-3,6,8H,4-5,7H2.
What are the key properties of 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one?
3-[(3-fluorophenoxy)methyl]cyclobutan-1-one has a molecular weight of 194.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]cyclobutan-1-one is sourced from PubChem (CID 121208144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).