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

C13H15FO2 — CID 116706780

IUPAC2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C13H15FO2/c1-16-13(7-2-8-13)12(15)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyPTNOFCFDZUSJHI-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.51
Rot. Bonds4

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

2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone (PubChem CID 116706780) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
PubChem CID116706780
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOC1(C(=O)Cc2ccc(F)cc2)CCC1
InChIInChI=1S/C13H15FO2/c1-16-13(7-2-8-13)12(15)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyPTNOFCFDZUSJHI-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
CID 104610156
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
1-(1-aminocyclobutyl)-2-(4-fluorophenyl)ethanone
CID 116598390
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750562
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116707049
2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 102857313
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
2-(2,4-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750334
2-(3-chloro-4-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 103039525

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone (CID 116706780) is 2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone is COC1(C(=O)Cc2ccc(F)cc2)CCC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
The InChIKey is PTNOFCFDZUSJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-16-13(7-2-8-13)12(15)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone has a molecular weight of 222.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 116706780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).