3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one

C12H12ClFO3 — CID 104675258

IUPAC3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1c(F)cccc1Cl
InChIInChI=1S/C12H12ClFO3/c1-2-16-12-9(15)6-10(12)17-11-7(13)4-3-5-8(11)14/h3-5,10,12H,2,6H2,1H3
InChIKeyCPJWSLOSQIGBSB-UHFFFAOYSA-N
MW258.68 g/mol
LogP2.60
Rot. Bonds4

About 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one

3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one (PubChem CID 104675258) has the molecular formula C12H12ClFO3 and a molecular weight of 258.68 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one
PubChem CID104675258
Molecular FormulaC12H12ClFO3
Molecular Weight258.68 g/mol
Exact Mass258.05
IUPAC Name3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1c(F)cccc1Cl
InChIInChI=1S/C12H12ClFO3/c1-2-16-12-9(15)6-10(12)17-11-7(13)4-3-5-8(11)14/h3-5,10,12H,2,6H2,1H3
InChIKeyCPJWSLOSQIGBSB-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-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

3-(4-chloronaphthalen-1-yl)oxy-2-ethoxycyclobutan-1-one
CID 104675178
3-(3-chloro-4-fluorophenoxy)-2-ethoxycyclobutan-1-one
CID 104675215
3-[(3-chlorophenyl)methoxy]-2-ethoxycyclobutan-1-one
CID 104675230
2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1-chloro-3-fluorobenzene
CID 83053697
2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 113439863
2-ethoxy-3-(2-phenylphenoxy)cyclobutan-1-one
CID 104675094
3-(2-chloro-6-nitrophenoxy)-2-methoxycyclobutan-1-one
CID 107719143
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66366424
2-ethoxy-3-(3-nitrophenoxy)cyclobutan-1-one
CID 113439855
2-ethoxy-3-(4-propylphenoxy)cyclobutan-1-one
CID 104675205
1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene
CID 178141378
2-ethoxy-3-(3,4,5-trimethoxyphenoxy)cyclobutan-1-one
CID 104675265

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one?
The IUPAC name of 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one (CID 104675258) is 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one is CCOC1C(=O)CC1Oc1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one?
The InChIKey is CPJWSLOSQIGBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO3/c1-2-16-12-9(15)6-10(12)17-11-7(13)4-3-5-8(11)14/h3-5,10,12H,2,6H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one?
3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one has a molecular weight of 258.68 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenoxy)-2-ethoxycyclobutan-1-one is sourced from PubChem (CID 104675258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).