1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone

C13H15FO2 — CID 103907370

IUPAC1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
SMILESC=C(CC)COc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C13H15FO2/c1-4-9(2)8-16-11-5-6-12(10(3)15)13(14)7-11/h5-7H,2,4,8H2,1,3H3
InChIKeyWFTSUMWUUXQKDJ-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone

1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone (PubChem CID 103907370) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
PubChem CID103907370
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
SMILESC=C(CC)COc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C13H15FO2/c1-4-9(2)8-16-11-5-6-12(10(3)15)13(14)7-11/h5-7H,2,4,8H2,1,3H3
InChIKeyWFTSUMWUUXQKDJ-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(chloromethyl)prop-2-enoxy]-2-fluorophenyl]ethanone
CID 107715578
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine
CID 143006150
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
(4-acetyl-3-fluorophenoxy)methyl-trifluoroboranuide
CID 107719077
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate
CID 103520063
5-(4-acetyl-3-fluorophenoxy)pentan-2-one
CID 107717486
1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374
1-[5-chloro-2-(2-methylidenebutoxy)phenyl]ethanone
CID 66046437
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95316685

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone (CID 103907370) is 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone is C=C(CC)COc1ccc(C(C)=O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone?
The InChIKey is WFTSUMWUUXQKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-4-9(2)8-16-11-5-6-12(10(3)15)13(14)7-11/h5-7H,2,4,8H2,1,3H3.
What are the key properties of 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone?
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone has a molecular weight of 222.26 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone is sourced from PubChem (CID 103907370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).