1-(2,6-difluorophenyl)-3-ethoxypropan-2-one

C11H12F2O2 — CID 114931357

IUPAC1-(2,6-difluorophenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C11H12F2O2/c1-2-15-7-8(14)6-9-10(12)4-3-5-11(9)13/h3-5H,2,6-7H2,1H3
InChIKeyZPXFDUKGRHGSSN-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.11
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-ethoxypropan-2-one

1-(2,6-difluorophenyl)-3-ethoxypropan-2-one (PubChem CID 114931357) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-ethoxypropan-2-one
PubChem CID114931357
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-(2,6-difluorophenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C11H12F2O2/c1-2-15-7-8(14)6-9-10(12)4-3-5-11(9)13/h3-5H,2,6-7H2,1H3
InChIKeyZPXFDUKGRHGSSN-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(2,6-difluorophenyl)-2-oxopropanoate
CID 18370505
1-(3,5-difluorophenyl)-3-ethoxypropan-2-one
CID 79566603
1-(2,6-difluorophenyl)-5-methylhex-5-en-2-one
CID 115802901
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanone
CID 114885507
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
acetyl 2-(2,6-difluorophenyl)acetate
CID 22626736
1-(2,6-difluorophenyl)-5-methoxy-5-methylhexan-2-one
CID 103024499
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
2-ethoxy-N-(2-fluoro-6-methylphenyl)acetamide
CID 115909342
1-(2,6-difluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-one
CID 114931445
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
6-amino-1-(2,6-difluorophenyl)hexan-2-one
CID 114935403

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxypropan-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxypropan-2-one (CID 114931357) is 1-(2,6-difluorophenyl)-3-ethoxypropan-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-ethoxypropan-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-ethoxypropan-2-one is CCOCC(=O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-ethoxypropan-2-one?
The InChIKey is ZPXFDUKGRHGSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-2-15-7-8(14)6-9-10(12)4-3-5-11(9)13/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-ethoxypropan-2-one?
1-(2,6-difluorophenyl)-3-ethoxypropan-2-one has a molecular weight of 214.21 g/mol, XLogP of 2.11, 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-ethoxypropan-2-one is sourced from PubChem (CID 114931357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).