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

C13H15FO2 — CID 103555872

IUPAC1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2ccc(F)cc2)CCC1
InChIInChI=1S/C13H15FO2/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyBDHPNAIUUGBCJV-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.97
Rot. Bonds4

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

1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103555872) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103555872
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2ccc(F)cc2)CCC1
InChIInChI=1S/C13H15FO2/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyBDHPNAIUUGBCJV-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555876
1-(2-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558764
2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
CID 103558841
1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558404
1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
CID 130987809
2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 103556021
2-(1-methoxycyclobutyl)-1-(5-methylthiophen-3-yl)ethanone
CID 103558846
2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 103558920
2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103558943
2-(1-methoxy-4-methylcyclohexyl)-1-phenylethanone
CID 71409518
2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone
CID 103558992
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103556008

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone (CID 103555872) is 1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is BDHPNAIUUGBCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone?
1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 222.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103555872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).