1-(2-ethoxy-3,5-difluorophenyl)ethanone

C10H10F2O2 — CID 83880634

IUPAC1-(2-ethoxy-3,5-difluorophenyl)ethanone
SMILESCCOc1c(F)cc(F)cc1C(C)=O
InChIInChI=1S/C10H10F2O2/c1-3-14-10-8(6(2)13)4-7(11)5-9(10)12/h4-5H,3H2,1-2H3
InChIKeyVLDRLHSPHPOSPN-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.57
Rot. Bonds3

About 1-(2-ethoxy-3,5-difluorophenyl)ethanone

1-(2-ethoxy-3,5-difluorophenyl)ethanone (PubChem CID 83880634) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 1-(2-ethoxy-3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-3,5-difluorophenyl)ethanone
PubChem CID83880634
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name1-(2-ethoxy-3,5-difluorophenyl)ethanone
SMILESCCOc1c(F)cc(F)cc1C(C)=O
InChIInChI=1S/C10H10F2O2/c1-3-14-10-8(6(2)13)4-7(11)5-9(10)12/h4-5H,3H2,1-2H3
InChIKeyVLDRLHSPHPOSPN-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-ethoxy-3,5-difluorophenyl)-2-oxoacetate
CID 91656339
(2-acetyl-4,6-difluorophenyl) trifluoromethanesulfonate
CID 166482398
3,5-difluoro-2-pentoxybenzoyl chloride
CID 91655224
1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
CID 171005984
2-(2-acetyl-4-bromo-6-fluorophenoxy)-N,N-diethylacetamide
CID 75520372
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
CID 86788128
1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
CID 83885927
2-ethoxy-1,5-difluoro-3-nitrobenzene
CID 121228440
1-[5-(difluoromethyl)-2-ethoxy-3-iodophenyl]ethanone
CID 171032479
2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
CID 83887419
1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
CID 131310764

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-3,5-difluorophenyl)ethanone (CID 83880634) is 1-(2-ethoxy-3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-3,5-difluorophenyl)ethanone is CCOc1c(F)cc(F)cc1C(C)=O.
What is the InChIKey of 1-(2-ethoxy-3,5-difluorophenyl)ethanone?
The InChIKey is VLDRLHSPHPOSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-3-14-10-8(6(2)13)4-7(11)5-9(10)12/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxy-3,5-difluorophenyl)ethanone?
1-(2-ethoxy-3,5-difluorophenyl)ethanone has a molecular weight of 200.18 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3,5-difluorophenyl)ethanone is sourced from PubChem (CID 83880634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).