1-(2,4-difluorophenyl)ethyl acetate

C10H10F2O2 — CID 141098399

IUPAC1-(2,4-difluorophenyl)ethyl acetate
SMILESCC(=O)OC(C)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O2/c1-6(14-7(2)13)9-4-3-8(11)5-10(9)12/h3-6H,1-2H3
InChIKeyJSVOJPUTUIDOOT-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.59
Rot. Bonds2

About 1-(2,4-difluorophenyl)ethyl acetate

1-(2,4-difluorophenyl)ethyl acetate (PubChem CID 141098399) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)ethyl acetate.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)ethyl acetate
PubChem CID141098399
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Name1-(2,4-difluorophenyl)ethyl acetate
SMILESCC(=O)OC(C)c1ccc(F)cc1F
InChIInChI=1S/C10H10F2O2/c1-6(14-7(2)13)9-4-3-8(11)5-10(9)12/h3-6H,1-2H3
InChIKeyJSVOJPUTUIDOOT-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)ethyl acetate
CID 11286838
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
[1-carbamoyloxy-1-(2,4-difluorophenyl)propan-2-yl] carbamate
CID 123475451
[(2S)-1,1-bis(2,4-difluorophenyl)propan-2-yl] (2S)-2-aminopropanoate
CID 121463605
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
1-(2,4-difluorophenyl)ethyl 3-(methylsulfonylmethyl)benzoate
CID 51124408
1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
[(2S)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8688014
1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate
CID 82532955
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)ethyl acetate?
The IUPAC name of 1-(2,4-difluorophenyl)ethyl acetate (CID 141098399) is 1-(2,4-difluorophenyl)ethyl acetate.
What is the SMILES notation for 1-(2,4-difluorophenyl)ethyl acetate?
The canonical SMILES for 1-(2,4-difluorophenyl)ethyl acetate is CC(=O)OC(C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)ethyl acetate?
The InChIKey is JSVOJPUTUIDOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6(14-7(2)13)9-4-3-8(11)5-10(9)12/h3-6H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)ethyl acetate?
1-(2,4-difluorophenyl)ethyl acetate has a molecular weight of 200.18 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)ethyl acetate is sourced from PubChem (CID 141098399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).