1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one

C15H20F2O2 — CID 114931445

IUPAC1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one
SMILESCCOC(C(=O)Cc1c(F)cccc1F)C(C)(C)C
InChIInChI=1S/C15H20F2O2/c1-5-19-14(15(2,3)4)13(18)9-10-11(16)7-6-8-12(10)17/h6-8,14H,5,9H2,1-4H3
InChIKeyPDBMNHINIFFZJT-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.53
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one

1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one (PubChem CID 114931445) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one
PubChem CID114931445
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one
SMILESCCOC(C(=O)Cc1c(F)cccc1F)C(C)(C)C
InChIInChI=1S/C15H20F2O2/c1-5-19-14(15(2,3)4)13(18)9-10-11(16)7-6-8-12(10)17/h6-8,14H,5,9H2,1-4H3
InChIKeyPDBMNHINIFFZJT-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-one
CID 116710029
3-amino-1-(2,6-difluorophenyl)-5-methylhexan-2-one
CID 114935345
1-(3-bromo-2-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 106644954
3-ethoxy-4,4-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-one
CID 116709921
1-(2,6-difluorophenyl)-3-ethoxypropan-2-one
CID 114931357
ethyl 3-(2,6-difluorophenyl)-2-oxopropanoate
CID 18370505
1-(2,3-difluorophenyl)-3-ethoxy-4-methylpentan-2-one
CID 116708851
1-(2-chloro-6-fluorophenyl)-3-methoxypentan-2-one
CID 116707234
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
CID 114931443
ethyl 4-(2-chloro-6-fluorophenyl)-2-ethyl-3-oxobutanoate
CID 63022493
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one
CID 114935341

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one (CID 114931445) is 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one is CCOC(C(=O)Cc1c(F)cccc1F)C(C)(C)C.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one?
The InChIKey is PDBMNHINIFFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-5-19-14(15(2,3)4)13(18)9-10-11(16)7-6-8-12(10)17/h6-8,14H,5,9H2,1-4H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one?
1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one has a molecular weight of 270.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one is sourced from PubChem (CID 114931445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).