1-(2-fluorophenyl)-2-methoxypentan-1-one

C12H15FO2 — CID 116708127

IUPAC1-(2-fluorophenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1ccccc1F
InChIInChI=1S/C12H15FO2/c1-3-6-11(15-2)12(14)9-7-4-5-8-10(9)13/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyUBSMRCLSBUSMOC-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-fluorophenyl)-2-methoxypentan-1-one

1-(2-fluorophenyl)-2-methoxypentan-1-one (PubChem CID 116708127) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methoxypentan-1-one
PubChem CID116708127
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(2-fluorophenyl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1ccccc1F
InChIInChI=1S/C12H15FO2/c1-3-6-11(15-2)12(14)9-7-4-5-8-10(9)13/h4-5,7-8,11H,3,6H2,1-2H3
InChIKeyUBSMRCLSBUSMOC-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methoxypentan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2-methoxypentan-1-one (CID 116708127) is 1-(2-fluorophenyl)-2-methoxypentan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methoxypentan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2-methoxypentan-1-one is CCCC(OC)C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methoxypentan-1-one?
The InChIKey is UBSMRCLSBUSMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-6-11(15-2)12(14)9-7-4-5-8-10(9)13/h4-5,7-8,11H,3,6H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methoxypentan-1-one?
1-(2-fluorophenyl)-2-methoxypentan-1-one has a molecular weight of 210.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methoxypentan-1-one is sourced from PubChem (CID 116708127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).