1-cyclobutyl-3-(2-fluorophenyl)propan-2-one

C13H15FO — CID 65457629

IUPAC1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CC1CCC1
InChIInChI=1S/C13H15FO/c14-13-7-2-1-6-11(13)9-12(15)8-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2
InChIKeySHWIHOMOQIUKJN-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.13
Rot. Bonds4

About 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one

1-cyclobutyl-3-(2-fluorophenyl)propan-2-one (PubChem CID 65457629) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
PubChem CID65457629
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CC1CCC1
InChIInChI=1S/C13H15FO/c14-13-7-2-1-6-11(13)9-12(15)8-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2
InChIKeySHWIHOMOQIUKJN-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one (CID 65457629) is 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one is O=C(Cc1ccccc1F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one?
The InChIKey is SHWIHOMOQIUKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-13-7-2-1-6-11(13)9-12(15)8-10-4-3-5-10/h1-2,6-7,10H,3-5,8-9H2.
What are the key properties of 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one?
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one has a molecular weight of 206.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 65457629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).