2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone

C13H14ClFO2 — CID 114967227

IUPAC2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2ccc(F)cc2Cl)CO1
InChIInChI=1S/C13H14ClFO2/c1-8-4-10(7-17-8)13(16)5-9-2-3-11(15)6-12(9)14/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyOOKMTGVDAYHKTI-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.02
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone

2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone (PubChem CID 114967227) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
PubChem CID114967227
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
SMILESCC1CC(C(=O)Cc2ccc(F)cc2Cl)CO1
InChIInChI=1S/C13H14ClFO2/c1-8-4-10(7-17-8)13(16)5-9-2-3-11(15)6-12(9)14/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyOOKMTGVDAYHKTI-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-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825779
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114964753
1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584926
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114965714
2-(furan-3-yl)-1-(5-methyloxolan-3-yl)ethanone
CID 115795793
2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588089
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 65350801
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
2-(2-chloro-4-fluorophenyl)-1-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703393
2-(2-chloro-4-fluorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703392
2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone (CID 114967227) is 2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone is CC1CC(C(=O)Cc2ccc(F)cc2Cl)CO1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone?
The InChIKey is OOKMTGVDAYHKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c1-8-4-10(7-17-8)13(16)5-9-2-3-11(15)6-12(9)14/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone?
2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-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-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone is sourced from PubChem (CID 114967227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).