1-(4-butoxy-2-fluorophenyl)ethanone

C12H15FO2 — CID 2773433

IUPAC1-(4-butoxy-2-fluorophenyl)ethanone
SMILESCCCCOc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C12H15FO2/c1-3-4-7-15-10-5-6-11(9(2)14)12(13)8-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHLXNDDSWXZJJEN-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.21
Rot. Bonds5

About 1-(4-butoxy-2-fluorophenyl)ethanone

1-(4-butoxy-2-fluorophenyl)ethanone (PubChem CID 2773433) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(4-butoxy-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-butoxy-2-fluorophenyl)ethanone
PubChem CID2773433
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(4-butoxy-2-fluorophenyl)ethanone
SMILESCCCCOc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C12H15FO2/c1-3-4-7-15-10-5-6-11(9(2)14)12(13)8-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHLXNDDSWXZJJEN-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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

5-(4-acetyl-3-fluorophenoxy)pentan-2-one
CID 107717486
4-butoxy-2-fluorobenzoate
CID 7015592
methyl 2-fluoro-4-octoxybenzoate
CID 59683755
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
(4-acetyl-3-fluorophenoxy)methyl-trifluoroboranuide
CID 107719077
1-(2-fluoro-5-propoxyphenyl)ethanone
CID 83988784
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
CID 103907370
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
3-(2-fluoro-4-nonoxyphenyl)-3-oxopropanoic acid
CID 170887023
1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374
2-(dimethylamino)-1-(2-fluoro-4-nonoxyphenyl)ethanone
CID 170896252
1-(2-fluoro-4-propoxyphenyl)prop-2-en-1-one
CID 19101297

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-2-fluorophenyl)ethanone?
The IUPAC name of 1-(4-butoxy-2-fluorophenyl)ethanone (CID 2773433) is 1-(4-butoxy-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-butoxy-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-butoxy-2-fluorophenyl)ethanone is CCCCOc1ccc(C(C)=O)c(F)c1.
What is the InChIKey of 1-(4-butoxy-2-fluorophenyl)ethanone?
The InChIKey is HLXNDDSWXZJJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-4-7-15-10-5-6-11(9(2)14)12(13)8-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-butoxy-2-fluorophenyl)ethanone?
1-(4-butoxy-2-fluorophenyl)ethanone has a molecular weight of 210.25 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-2-fluorophenyl)ethanone is sourced from PubChem (CID 2773433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).