2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one

C15H19FO2 — CID 81415947

IUPAC2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H19FO2/c1-4-15(5-2)11(9-14(15)17)10-6-7-13(18-3)12(16)8-10/h6-8,11H,4-5,9H2,1-3H3
InChIKeyDJJHPNDWQOQWJQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.70
Rot. Bonds4

About 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one

2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one (PubChem CID 81415947) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one
PubChem CID81415947
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1c1ccc(OC)c(F)c1
InChIInChI=1S/C15H19FO2/c1-4-15(5-2)11(9-14(15)17)10-6-7-13(18-3)12(16)8-10/h6-8,11H,4-5,9H2,1-3H3
InChIKeyDJJHPNDWQOQWJQ-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-3-(3-fluoro-4-methylsulfanylphenyl)cyclobutan-1-one
CID 81415460
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)-N-propylcyclobutan-1-amine
CID 81418140
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250
2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one
CID 66366795
5-(3-fluoro-4-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243214
3-(2,5-difluoro-4-nitrophenoxy)-2,2-diethylcyclobutan-1-one
CID 66366439
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
1-ethyl-2-(3-fluoro-4-methoxyphenyl)azepan-3-amine
CID 65101028
6-butyl-5-(3-fluoro-4-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237728
2-ethyl-5,6-bis(3-fluoro-4-methoxyphenyl)-4,5-dihydropyridazin-3-one
CID 165389188
2-(3-fluoro-4-methoxyphenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242836

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one (CID 81415947) is 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one is CCC1(CC)C(=O)CC1c1ccc(OC)c(F)c1.
What is the InChIKey of 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one?
The InChIKey is DJJHPNDWQOQWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-4-15(5-2)11(9-14(15)17)10-6-7-13(18-3)12(16)8-10/h6-8,11H,4-5,9H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one?
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one has a molecular weight of 250.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one is sourced from PubChem (CID 81415947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).