1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one

C11H12ClFO2 — CID 105394318

IUPAC1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFO2/c1-11(2,15-3)10(14)8-6-7(13)4-5-9(8)12/h4-6H,1-3H3
InChIKeyJFWMRIQQMDKPQW-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.09
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one

1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one (PubChem CID 105394318) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one
PubChem CID105394318
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFO2/c1-11(2,15-3)10(14)8-6-7(13)4-5-9(8)12/h4-6H,1-3H3
InChIKeyJFWMRIQQMDKPQW-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-chloro-5-fluorophenyl)-2,2,3-trimethylbutan-1-one
CID 105396463
1-(3,4-dichlorophenyl)-2-methoxy-2-methylpropan-1-one
CID 79198318
propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
1-(2-chloro-5-fluorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
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1-(2-chloro-5-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 105394302
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methylpentan-1-one
CID 103024568
methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396510
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one (CID 105394318) is 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is JFWMRIQQMDKPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-11(2,15-3)10(14)8-6-7(13)4-5-9(8)12/h4-6H,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one?
1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 230.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 105394318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).