1-(3,5-difluorophenyl)-3-ethoxypropan-2-one

C11H12F2O2 — CID 79566603

IUPAC1-(3,5-difluorophenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O2/c1-2-15-7-11(14)5-8-3-9(12)6-10(13)4-8/h3-4,6H,2,5,7H2,1H3
InChIKeyTVGNXOBINSDKTE-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.11
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-ethoxypropan-2-one

1-(3,5-difluorophenyl)-3-ethoxypropan-2-one (PubChem CID 79566603) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-ethoxypropan-2-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-ethoxypropan-2-one
PubChem CID79566603
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-(3,5-difluorophenyl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2O2/c1-2-15-7-11(14)5-8-3-9(12)6-10(13)4-8/h3-4,6H,2,5,7H2,1H3
InChIKeyTVGNXOBINSDKTE-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

1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one
CID 105412017
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide
CID 62295850
1-(4-aminophenyl)-3-ethoxypropan-2-one
CID 116549423
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
1-(2,6-difluorophenyl)-3-ethoxypropan-2-one
CID 114931357
1-(3,5-difluorophenyl)-5-methylhex-5-en-2-one
CID 114473505
2-ethoxy-1-(2,4,6-trifluorophenyl)ethanone
CID 115782948
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
1-(3,5-difluorophenyl)-5-methylhexan-2-one
CID 62619889
1-(3,5-difluorophenyl)-5-methoxyhexan-2-one
CID 105412180
ethyl (E)-2-[(3,5-difluorophenyl)methyl]-3-hydroxyprop-2-enoate
CID 10377061

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-ethoxypropan-2-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-ethoxypropan-2-one (CID 79566603) is 1-(3,5-difluorophenyl)-3-ethoxypropan-2-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-ethoxypropan-2-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-ethoxypropan-2-one is CCOCC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-ethoxypropan-2-one?
The InChIKey is TVGNXOBINSDKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-2-15-7-11(14)5-8-3-9(12)6-10(13)4-8/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-ethoxypropan-2-one?
1-(3,5-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-(3,5-difluorophenyl)-3-ethoxypropan-2-one is sourced from PubChem (CID 79566603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).