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

C13H14ClFO2 — CID 102865639

IUPAC2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)Cc2cccc(Cl)c2F)O1
InChIInChI=1S/C13H14ClFO2/c1-8-5-6-12(17-8)11(16)7-9-3-2-4-10(14)13(9)15/h2-4,8,12H,5-7H2,1H3
InChIKeyILIIVYDOPPAYPV-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.16
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone (PubChem CID 102865639) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
PubChem CID102865639
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)Cc2cccc(Cl)c2F)O1
InChIInChI=1S/C13H14ClFO2/c1-8-5-6-12(17-8)11(16)7-9-3-2-4-10(14)13(9)15/h2-4,8,12H,5-7H2,1H3
InChIKeyILIIVYDOPPAYPV-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
CID 82802592
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 82802600
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865627
2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone
CID 102865083
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103456031
2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114967922
2-(furan-3-yl)-1-(5-methyloxolan-2-yl)ethanone
CID 115795921
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
2,3-difluorophenol;5-methyloxolane-2-carboxylic acid
CID 166160013

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone (CID 102865639) is 2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone is CC1CCC(C(=O)Cc2cccc(Cl)c2F)O1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone?
The InChIKey is ILIIVYDOPPAYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c1-8-5-6-12(17-8)11(16)7-9-3-2-4-10(14)13(9)15/h2-4,8,12H,5-7H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone has a molecular weight of 256.70 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 102865639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).