1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one

C13H17FO2 — CID 43793380

IUPAC1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
SMILESCC(C)COCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-10(2)9-16-8-7-13(15)11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyFQYULIUJPHEARE-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.07
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one

1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one (PubChem CID 43793380) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
PubChem CID43793380
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
SMILESCC(C)COCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FO2/c1-10(2)9-16-8-7-13(15)11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyFQYULIUJPHEARE-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide
CID 87027884
3-(2,2-difluoroethoxy)-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 103206458
1-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43793495
1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
CID 112588313
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747
1-(4-fluorophenyl)-3-[(2-fluorophenyl)methoxy]propan-1-one
CID 63935532
2-methylpropyl 4-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoate
CID 108795614
1-(4-fluorophenyl)-5-methoxyhexan-1-one
CID 145375839
5-ethoxy-1-(4-fluorophenyl)pentane-1,3-dione
CID 43138983
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one (CID 43793380) is 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one is CC(C)COCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one?
The InChIKey is FQYULIUJPHEARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-10(2)9-16-8-7-13(15)11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one?
1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one has a molecular weight of 224.28 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one is sourced from PubChem (CID 43793380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).