2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone

C13H14ClFO2 — CID 112653344

IUPAC2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1CCOCC1
InChIInChI=1S/C13H14ClFO2/c14-13-10(2-1-3-11(13)15)8-12(16)9-4-6-17-7-5-9/h1-3,9H,4-8H2
InChIKeyZCBLNKULURBJSJ-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.02
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone (PubChem CID 112653344) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
PubChem CID112653344
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1CCOCC1
InChIInChI=1S/C13H14ClFO2/c14-13-10(2-1-3-11(13)15)8-12(16)9-4-6-17-7-5-9/h1-3,9H,4-8H2
InChIKeyZCBLNKULURBJSJ-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 82802592
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone
CID 107187410
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
CID 62906043
2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561773
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
CID 106865356
2-(2-chloro-3-fluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 112653790

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone (CID 112653344) is 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone is O=C(Cc1cccc(F)c1Cl)C1CCOCC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone?
The InChIKey is ZCBLNKULURBJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c14-13-10(2-1-3-11(13)15)8-12(16)9-4-6-17-7-5-9/h1-3,9H,4-8H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone has a molecular weight of 256.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(oxan-4-yl)ethanone is sourced from PubChem (CID 112653344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).