1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one

C14H19FO2 — CID 43793381

IUPAC1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
SMILESCC(C)COCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FO2/c1-11(2)10-17-9-3-4-14(16)12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyFUGJMUJYKLZXCA-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.46
Rot. Bonds7

About 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one

1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one (PubChem CID 43793381) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
PubChem CID43793381
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
SMILESCC(C)COCCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FO2/c1-11(2)10-17-9-3-4-14(16)12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyFUGJMUJYKLZXCA-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.46
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)-3-(2-methylpropoxy)propan-1-one
CID 43793380
1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694
1-(4-fluorophenyl)-4-(1-phenylethoxy)butan-1-one
CID 62030414
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-5-methoxyhexan-1-one
CID 145375839
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
1-(4-fluorophenyl)-4-(3-methylcyclohexyl)oxybutan-1-one
CID 43793788
4-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-1-one
CID 43793307
N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide
CID 87027884
4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 105097430
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one (CID 43793381) is 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one is CC(C)COCCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one?
The InChIKey is FUGJMUJYKLZXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-11(2)10-17-9-3-4-14(16)12-5-7-13(15)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one?
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one has a molecular weight of 238.30 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one is sourced from PubChem (CID 43793381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).