1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one

C12H14ClFO2 — CID 105394391

IUPAC1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H14ClFO2/c1-3-4-11(16-2)12(15)9-7-8(14)5-6-10(9)13/h5-7,11H,3-4H2,1-2H3
InChIKeyZBDMQWKDCFJYLJ-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.48
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one

1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one (PubChem CID 105394391) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
PubChem CID105394391
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H14ClFO2/c1-3-4-11(16-2)12(15)9-7-8(14)5-6-10(9)13/h5-7,11H,3-4H2,1-2H3
InChIKeyZBDMQWKDCFJYLJ-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-methoxypentan-1-one
CID 116708296
1-(2-fluorophenyl)-2-methoxypentan-1-one
CID 116708127
1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
CID 116708023
1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one
CID 102617817
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
2-methoxy-1-(2,4,5-trimethylphenyl)pentan-1-one
CID 116708167
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
2-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-one
CID 116708193
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
propan-2-yl 2-chloro-5-fluorobenzoate
CID 130658316
1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one
CID 105394318

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one (CID 105394391) is 1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one is CCCC(OC)C(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one?
The InChIKey is ZBDMQWKDCFJYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c1-3-4-11(16-2)12(15)9-7-8(14)5-6-10(9)13/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one?
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one has a molecular weight of 244.69 g/mol, XLogP of 3.48, 5 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-methoxypentan-1-one is sourced from PubChem (CID 105394391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).