2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one

C15H21FO2 — CID 116747123

IUPAC2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one
SMILESCCOC(CC)(CC)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C15H21FO2/c1-5-15(6-2,18-7-3)14(17)12-10-11(4)8-9-13(12)16/h8-10H,5-7H2,1-4H3
InChIKeyRFKMCURQFNFLEJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.91
Rot. Bonds6

About 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one

2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one (PubChem CID 116747123) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one
PubChem CID116747123
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one
SMILESCCOC(CC)(CC)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C15H21FO2/c1-5-15(6-2,18-7-3)14(17)12-10-11(4)8-9-13(12)16/h8-10H,5-7H2,1-4H3
InChIKeyRFKMCURQFNFLEJ-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 116710090
2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
CID 79052290
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
2-ethoxy-2-ethyl-1-(3-fluoro-4-pyridinyl)butan-1-one
CID 116747310
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129
1-(2-chloro-4-methylphenyl)-3-ethoxy-3-ethylpentan-2-one
CID 106867133
1-(2-fluoro-5-methylphenyl)-2-propoxyethanone
CID 62789426
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide
CID 113245162
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one?
The IUPAC name of 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one (CID 116747123) is 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one is CCOC(CC)(CC)C(=O)c1cc(C)ccc1F.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one?
The InChIKey is RFKMCURQFNFLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-5-15(6-2,18-7-3)14(17)12-10-11(4)8-9-13(12)16/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one?
2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one has a molecular weight of 252.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(2-fluoro-5-methylphenyl)butan-1-one is sourced from PubChem (CID 116747123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).