1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone

C14H19FO3 — CID 29003149

IUPAC1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
SMILESCCCCOCCOc1ccc(F)cc1C(C)=O
InChIInChI=1S/C14H19FO3/c1-3-4-7-17-8-9-18-14-6-5-12(15)10-13(14)11(2)16/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyXVGVCCWXOSPMBZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.22
Rot. Bonds8

About 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone

1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone (PubChem CID 29003149) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
PubChem CID29003149
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
SMILESCCCCOCCOc1ccc(F)cc1C(C)=O
InChIInChI=1S/C14H19FO3/c1-3-4-7-17-8-9-18-14-6-5-12(15)10-13(14)11(2)16/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyXVGVCCWXOSPMBZ-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767
1-[2-[2-(4-bromophenoxy)ethoxy]-5-fluorophenyl]ethanone
CID 78906384
2-butoxy-5-fluorobenzoyl chloride
CID 91656743
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
1-[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 78925927
5-fluoro-2-pentoxybenzoyl chloride
CID 91655742
5-fluoro-2-nonoxybenzoic acid
CID 115297915
1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
CID 107007278
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone (CID 29003149) is 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone is CCCCOCCOc1ccc(F)cc1C(C)=O.
What is the InChIKey of 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone?
The InChIKey is XVGVCCWXOSPMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-3-4-7-17-8-9-18-14-6-5-12(15)10-13(14)11(2)16/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone?
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone has a molecular weight of 254.30 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone is sourced from PubChem (CID 29003149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).