1-(2,3-difluorophenyl)propan-1-one;ethane

C11H14F2O — CID 158876194

IUPAC1-(2,3-difluorophenyl)propan-1-one;ethane
SMILESCC.CCC(=O)c1cccc(F)c1F
InChIInChI=1S/C9H8F2O.C2H6/c1-2-8(12)6-4-3-5-7(10)9(6)11;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyJCLQATRGAKRNBK-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.58
Rot. Bonds2

About 1-(2,3-difluorophenyl)propan-1-one;ethane

1-(2,3-difluorophenyl)propan-1-one;ethane (PubChem CID 158876194) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)propan-1-one;ethane
PubChem CID158876194
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(2,3-difluorophenyl)propan-1-one;ethane
SMILESCC.CCC(=O)c1cccc(F)c1F
InChIInChI=1S/C9H8F2O.C2H6/c1-2-8(12)6-4-3-5-7(10)9(6)11;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyJCLQATRGAKRNBK-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-difluorophenyl)propan-1-one;ethane 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

methyl 2-fluoro-3-propanoylbenzoate
CID 178189126
1-(2,3-difluorophenyl)-3-ethylpentan-1-one
CID 115795198
1-(3-fluoro-2-iodophenyl)propan-1-one
CID 118798307
1-(2-ethyl-3-fluorophenyl)propan-1-one
CID 118801897
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
2-(butan-2-ylamino)-1-(2,3-difluorophenyl)ethanone
CID 116556091
ethyl 2,3-difluorobenzoate
CID 2761174
1-(2,3-difluorophenyl)but-3-en-1-one
CID 116659426
1-(2,3-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105101809
(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
CID 67458775

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)propan-1-one;ethane?
The IUPAC name of 1-(2,3-difluorophenyl)propan-1-one;ethane (CID 158876194) is 1-(2,3-difluorophenyl)propan-1-one;ethane.
What is the SMILES notation for 1-(2,3-difluorophenyl)propan-1-one;ethane?
The canonical SMILES for 1-(2,3-difluorophenyl)propan-1-one;ethane is CC.CCC(=O)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)propan-1-one;ethane?
The InChIKey is JCLQATRGAKRNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O.C2H6/c1-2-8(12)6-4-3-5-7(10)9(6)11;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)propan-1-one;ethane?
1-(2,3-difluorophenyl)propan-1-one;ethane has a molecular weight of 200.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)propan-1-one;ethane is sourced from PubChem (CID 158876194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).