cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone

C12H13FO2 — CID 82807656

IUPACcyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCC2)c1F
InChIInChI=1S/C12H13FO2/c1-15-10-7-3-6-9(11(10)13)12(14)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyFDKDTPHWZYAMDK-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.82
Rot. Bonds3

About cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone

cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 82807656) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID82807656
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Namecyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CCC2)c1F
InChIInChI=1S/C12H13FO2/c1-15-10-7-3-6-9(11(10)13)12(14)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyFDKDTPHWZYAMDK-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105123623
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82808493
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
tert-butyl 4-(2-fluoro-3-methoxybenzoyl)piperidine-1-carboxylate
CID 58817684
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 115792913
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-3-methoxyphenyl)methanone
CID 82791721
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
CID 82277622
(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116587559

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone (CID 82807656) is cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CCC2)c1F.
What is the InChIKey of cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is FDKDTPHWZYAMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-15-10-7-3-6-9(11(10)13)12(14)8-4-2-5-8/h3,6-8H,2,4-5H2,1H3.
What are the key properties of cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone?
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 208.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 82807656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).