2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone

C12H13FO2 — CID 61080279

IUPAC2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone
SMILESO=C(Cc1ccccc1F)C1CCCO1
InChIInChI=1S/C12H13FO2/c13-10-5-2-1-4-9(10)8-11(14)12-6-3-7-15-12/h1-2,4-5,12H,3,6-8H2
InChIKeyHXTNHYITLDTJQF-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.12
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone

2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone (PubChem CID 61080279) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone
PubChem CID61080279
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone
SMILESO=C(Cc1ccccc1F)C1CCCO1
InChIInChI=1S/C12H13FO2/c13-10-5-2-1-4-9(10)8-11(14)12-6-3-7-15-12/h1-2,4-5,12H,3,6-8H2
InChIKeyHXTNHYITLDTJQF-UHFFFAOYSA-N
XLogP2.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 55047758
(2,6-difluorophenyl)-(oxolan-2-yl)methanone
CID 65331301
3-(2-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110797569
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanone
CID 61080286
1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952955
2-(furan-3-yl)-1-(oxolan-2-yl)ethanone
CID 83171959
2-(4-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 107890629
1-(2-fluorocyclopropyl)-2-(2-fluorophenyl)ethanone
CID 19919493
N-[(2-fluorophenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302794
2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79912806
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 45210723

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone (CID 61080279) is 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone is O=C(Cc1ccccc1F)C1CCCO1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone?
The InChIKey is HXTNHYITLDTJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-10-5-2-1-4-9(10)8-11(14)12-6-3-7-15-12/h1-2,4-5,12H,3,6-8H2.
What are the key properties of 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone?
2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone has a molecular weight of 208.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone is sourced from PubChem (CID 61080279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).