1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone

C13H15FO2 — CID 84687564

IUPAC1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)cc(OCC2CCC2)c1
InChIInChI=1S/C13H15FO2/c1-9(15)11-5-12(14)7-13(6-11)16-8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyQQFHQZOBFNDXKY-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.21
Rot. Bonds4

About 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone

1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone (PubChem CID 84687564) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone
PubChem CID84687564
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)cc(OCC2CCC2)c1
InChIInChI=1S/C13H15FO2/c1-9(15)11-5-12(14)7-13(6-11)16-8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyQQFHQZOBFNDXKY-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
CID 84689444
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
CID 117382059
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
2-bromo-1-[3-tert-butyl-5-(cyclobutylmethoxy)phenyl]ethanone
CID 58136861
[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid
CID 81332154
1-(3-chloroprop-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326207
2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine
CID 117413305
[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine
CID 117444778
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol
CID 146557307
3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
CID 117440376
1-(4-chlorobut-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326215

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone (CID 84687564) is 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone is CC(=O)c1cc(F)cc(OCC2CCC2)c1.
What is the InChIKey of 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone?
The InChIKey is QQFHQZOBFNDXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-9(15)11-5-12(14)7-13(6-11)16-8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3.
What are the key properties of 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone?
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone has a molecular weight of 222.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone is sourced from PubChem (CID 84687564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).