4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane

C12H14ClFO2 — CID 21326604

IUPAC4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane
SMILESCC1CC(OCc2c(F)cccc2Cl)CO1
InChIInChI=1S/C12H14ClFO2/c1-8-5-9(6-15-8)16-7-10-11(13)3-2-4-12(10)14/h2-4,8-9H,5-7H2,1H3
InChIKeyUPRAQGIGQVHAIF-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.17
Rot. Bonds3

About 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane

4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane (PubChem CID 21326604) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane
PubChem CID21326604
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane
SMILESCC1CC(OCc2c(F)cccc2Cl)CO1
InChIInChI=1S/C12H14ClFO2/c1-8-5-9(6-15-8)16-7-10-11(13)3-2-4-12(10)14/h2-4,8-9H,5-7H2,1H3
InChIKeyUPRAQGIGQVHAIF-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,6-dimethylphenyl)methoxy]-2-methyloxolane
CID 21326645
1-chloro-2-[(3-ethylcyclobutyl)oxymethyl]-3-fluorobenzene;ethane
CID 178142502
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
(1R,2R,5R,6S)-5-[(2-chloro-6-fluorophenyl)methoxy]-6-ethyl-7-oxatricyclo[4.2.1.02,4]nonane
CID 57040213
(2R,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholin-4-ium
CID 2059242
(2S,6S)-4-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylmorpholine
CID 757782
bromomethyl-[(2-chloro-6-fluorophenyl)methoxy]-dimethylsilane
CID 91735266
2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825914
1-chloro-3-fluoro-2-(methylsulfanylmethoxymethyl)benzene
CID 129306706
4-[(2-bromo-3-fluorophenyl)methoxy]-2,6-dimethyloxane
CID 113369277
1,3-dichloro-2-(cyclohexyloxymethyl)benzene;hydrochloride
CID 22937574
2-[(2,6-difluorophenyl)methyl]oxirane
CID 115410452

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane (CID 21326604) is 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane is CC1CC(OCc2c(F)cccc2Cl)CO1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane?
The InChIKey is UPRAQGIGQVHAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c1-8-5-9(6-15-8)16-7-10-11(13)3-2-4-12(10)14/h2-4,8-9H,5-7H2,1H3.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane?
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane has a molecular weight of 244.69 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methyloxolane is sourced from PubChem (CID 21326604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).