2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

C16H21FO2 — CID 114622360

IUPAC2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCC1(C)CC(C(=O)Cc2ccccc2F)C(C)(C)O1
InChIInChI=1S/C16H21FO2/c1-15(2)10-12(16(3,4)19-15)14(18)9-11-7-5-6-8-13(11)17/h5-8,12H,9-10H2,1-4H3
InChIKeyHKLBYEZLSPFGIX-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.53
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (PubChem CID 114622360) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
PubChem CID114622360
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCC1(C)CC(C(=O)Cc2ccccc2F)C(C)(C)O1
InChIInChI=1S/C16H21FO2/c1-15(2)10-12(16(3,4)19-15)14(18)9-11-7-5-6-8-13(11)17/h5-8,12H,9-10H2,1-4H3
InChIKeyHKLBYEZLSPFGIX-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (CID 114622360) is 2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is CC1(C)CC(C(=O)Cc2ccccc2F)C(C)(C)O1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The InChIKey is HKLBYEZLSPFGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-15(2)10-12(16(3,4)19-15)14(18)9-11-7-5-6-8-13(11)17/h5-8,12H,9-10H2,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone has a molecular weight of 264.34 g/mol, XLogP of 3.53, 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-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is sourced from PubChem (CID 114622360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).