1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone

C10H10ClFO2 — CID 130752787

IUPAC1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
SMILESCCOc1ccc(C(C)=O)c(Cl)c1F
InChIInChI=1S/C10H10ClFO2/c1-3-14-8-5-4-7(6(2)13)9(11)10(8)12/h4-5H,3H2,1-2H3
InChIKeyVKJUVLNGQOKSAA-UHFFFAOYSA-N
MW216.64 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone

1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone (PubChem CID 130752787) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
PubChem CID130752787
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
SMILESCCOc1ccc(C(C)=O)c(Cl)c1F
InChIInChI=1S/C10H10ClFO2/c1-3-14-8-5-4-7(6(2)13)9(11)10(8)12/h4-5H,3H2,1-2H3
InChIKeyVKJUVLNGQOKSAA-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone 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-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
CID 171005984
1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171007428
2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid
CID 117331897
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one
CID 117329949
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
1-(4-ethoxy-3-iodo-2-methylphenyl)ethanone
CID 171012647
2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid
CID 18444833
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-[3-bromo-2-(difluoromethyl)-4-ethoxyphenyl]ethanone
CID 171001079

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone (CID 130752787) is 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone is CCOc1ccc(C(C)=O)c(Cl)c1F.
What is the InChIKey of 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone?
The InChIKey is VKJUVLNGQOKSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-3-14-8-5-4-7(6(2)13)9(11)10(8)12/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone?
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone has a molecular weight of 216.64 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone is sourced from PubChem (CID 130752787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).